USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 798 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 LYS NZ :NH3+ -166:sc= 1.74 (180deg=1.23) USER MOD Set 1.2: A 25 SER OG : rot -70:sc= 1.73 USER MOD Set 2.1: A 19 ASN : amide:sc= 0.577 K(o=1.7,f=-0.4) USER MOD Set 2.2: A 21 CYS SG : rot 101:sc= 1.13 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00944 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.0198 F(o=-1.2!,f=-0.02) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00463 USER MOD Single : A 20 GLN : amide:sc=-0.00538 K(o=-0.0054,f=-0.96) USER MOD Single : A 24 ASN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -76:sc= 1.3 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.487 K(o=0.49,f=-0.25) USER MOD Single : A 37 ASN : amide:sc= 0.214 K(o=0.21,f=-6.1!) USER MOD Single : A 38 MET CE :methyl -162:sc= -0.087 (180deg=-0.596) USER MOD Single : A 40 SER OG : rot -32:sc= 0.156 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0122) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.139 F(o=-1.8!,f=-0.14) USER MOD Single : A 57 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.82) USER MOD Single : A 65 HIS : no HD1:sc= 1.07 K(o=1.1,f=-4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -0.0597 F(o=-0.86,f=-0.06) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.265 F(o=-1.6!,f=-0.27) USER MOD Single : A 76 SER OG : rot 180:sc= -0.188 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.827 X(o=-0.83,f=-0.51) USER MOD Single : A 86 GLN : amide:sc= 0.231 X(o=0.23,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 167:sc= -0.0105 (180deg=-0.165) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 162:sc= -0.0661 (180deg=-0.422) USER MOD Single : A 104 SER OG : rot -160:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -67.381 -26.683 -20.880 1.00 39.32 N ATOM 2 CA GLY A 1 -67.410 -25.674 -19.793 1.00 39.39 C ATOM 3 C GLY A 1 -66.099 -24.919 -19.701 1.00 39.02 C ATOM 4 O GLY A 1 -65.723 -24.228 -20.644 1.00 38.60 O ATOM 0 H1 GLY A 1 -68.293 -27.181 -20.915 1.00 39.32 H new ATOM 0 H2 GLY A 1 -67.210 -26.209 -21.790 1.00 39.32 H new ATOM 0 H3 GLY A 1 -66.619 -27.367 -20.698 1.00 39.32 H new ATOM 0 HA2 GLY A 1 -68.224 -24.971 -19.969 1.00 39.39 H new ATOM 0 HA3 GLY A 1 -67.615 -26.167 -18.843 1.00 39.39 H new ATOM 10 N PRO A 2 -65.375 -25.040 -18.578 1.00 39.23 N ATOM 11 CA PRO A 2 -64.084 -24.367 -18.382 1.00 38.99 C ATOM 12 C PRO A 2 -62.985 -24.983 -19.245 1.00 38.70 C ATOM 13 O PRO A 2 -63.042 -26.167 -19.583 1.00 39.16 O ATOM 14 CB PRO A 2 -63.771 -24.583 -16.892 1.00 39.44 C ATOM 15 CG PRO A 2 -65.025 -25.131 -16.289 1.00 39.88 C ATOM 16 CD PRO A 2 -65.752 -25.832 -17.404 1.00 39.77 C ATOM 0 HA PRO A 2 -64.131 -23.316 -18.666 1.00 38.99 H new ATOM 0 HB2 PRO A 2 -62.940 -25.276 -16.763 1.00 39.44 H new ATOM 0 HB3 PRO A 2 -63.483 -23.647 -16.413 1.00 39.44 H new ATOM 0 HG2 PRO A 2 -64.798 -25.822 -15.477 1.00 39.88 H new ATOM 0 HG3 PRO A 2 -65.636 -24.333 -15.867 1.00 39.88 H new ATOM 0 HD2 PRO A 2 -65.441 -26.872 -17.500 1.00 39.77 H new ATOM 0 HD3 PRO A 2 -66.830 -25.835 -17.246 1.00 39.77 H new ATOM 24 N LEU A 3 -61.998 -24.175 -19.614 1.00 37.99 N ATOM 25 CA LEU A 3 -60.893 -24.661 -20.430 1.00 37.71 C ATOM 26 C LEU A 3 -59.601 -24.708 -19.628 1.00 36.95 C ATOM 27 O LEU A 3 -58.945 -25.744 -19.552 1.00 36.88 O ATOM 28 CB LEU A 3 -60.700 -23.801 -21.686 1.00 37.68 C ATOM 29 CG LEU A 3 -61.732 -24.020 -22.801 1.00 38.25 C ATOM 30 CD1 LEU A 3 -63.077 -23.413 -22.436 1.00 38.55 C ATOM 31 CD2 LEU A 3 -61.229 -23.444 -24.114 1.00 38.67 C ATOM 0 H LEU A 3 -61.940 -23.188 -19.363 1.00 37.99 H new ATOM 0 HA LEU A 3 -61.147 -25.673 -20.745 1.00 37.71 H new ATOM 0 HB2 LEU A 3 -60.724 -22.751 -21.394 1.00 37.68 H new ATOM 0 HB3 LEU A 3 -59.707 -23.997 -22.090 1.00 37.68 H new ATOM 0 HG LEU A 3 -61.870 -25.095 -22.920 1.00 38.25 H new ATOM 0 HD11 LEU A 3 -63.786 -23.585 -23.246 1.00 38.55 H new ATOM 0 HD12 LEU A 3 -63.450 -23.877 -21.523 1.00 38.55 H new ATOM 0 HD13 LEU A 3 -62.961 -22.341 -22.277 1.00 38.55 H new ATOM 0 HD21 LEU A 3 -61.974 -23.609 -24.893 1.00 38.67 H new ATOM 0 HD22 LEU A 3 -61.055 -22.374 -23.999 1.00 38.67 H new ATOM 0 HD23 LEU A 3 -60.297 -23.935 -24.394 1.00 38.67 H new ATOM 43 N GLY A 4 -59.228 -23.580 -19.044 1.00 36.42 N ATOM 44 CA GLY A 4 -58.009 -23.526 -18.266 1.00 35.70 C ATOM 45 C GLY A 4 -57.749 -22.142 -17.719 1.00 35.18 C ATOM 46 O GLY A 4 -57.065 -21.343 -18.357 1.00 34.80 O ATOM 0 H GLY A 4 -59.746 -22.703 -19.095 1.00 36.42 H new ATOM 0 HA2 GLY A 4 -58.073 -24.236 -17.441 1.00 35.70 H new ATOM 0 HA3 GLY A 4 -57.168 -23.834 -18.887 1.00 35.70 H new ATOM 50 N SER A 5 -58.315 -21.863 -16.544 1.00 35.22 N ATOM 51 CA SER A 5 -58.141 -20.575 -15.873 1.00 34.83 C ATOM 52 C SER A 5 -58.629 -19.420 -16.749 1.00 34.57 C ATOM 53 O SER A 5 -58.024 -18.348 -16.785 1.00 34.37 O ATOM 54 CB SER A 5 -56.671 -20.373 -15.485 1.00 34.91 C ATOM 55 OG SER A 5 -56.226 -21.412 -14.622 1.00 35.05 O ATOM 0 H SER A 5 -58.904 -22.520 -16.033 1.00 35.22 H new ATOM 0 HA SER A 5 -58.747 -20.582 -14.967 1.00 34.83 H new ATOM 0 HB2 SER A 5 -56.054 -20.351 -16.383 1.00 34.91 H new ATOM 0 HB3 SER A 5 -56.550 -19.409 -14.992 1.00 34.91 H new ATOM 0 HG SER A 5 -55.286 -21.264 -14.389 1.00 35.05 H new ATOM 61 N THR A 6 -59.746 -19.648 -17.430 1.00 34.64 N ATOM 62 CA THR A 6 -60.353 -18.642 -18.285 1.00 34.51 C ATOM 63 C THR A 6 -60.805 -17.430 -17.464 1.00 33.81 C ATOM 64 O THR A 6 -60.903 -16.312 -17.977 1.00 33.44 O ATOM 65 CB THR A 6 -61.548 -19.250 -19.040 1.00 34.85 C ATOM 66 OG1 THR A 6 -61.184 -20.553 -19.526 1.00 35.00 O ATOM 67 CG2 THR A 6 -61.969 -18.369 -20.208 1.00 35.32 C ATOM 0 H THR A 6 -60.253 -20.533 -17.404 1.00 34.64 H new ATOM 0 HA THR A 6 -59.609 -18.305 -19.006 1.00 34.51 H new ATOM 0 HB THR A 6 -62.391 -19.325 -18.353 1.00 34.85 H new ATOM 0 HG1 THR A 6 -61.942 -20.946 -20.007 1.00 35.00 H new ATOM 0 HG21 THR A 6 -62.815 -18.825 -20.721 1.00 35.32 H new ATOM 0 HG22 THR A 6 -62.257 -17.386 -19.837 1.00 35.32 H new ATOM 0 HG23 THR A 6 -61.136 -18.264 -20.903 1.00 35.32 H new ATOM 75 N SER A 7 -61.065 -17.660 -16.181 1.00 33.71 N ATOM 76 CA SER A 7 -61.396 -16.584 -15.268 1.00 33.13 C ATOM 77 C SER A 7 -60.122 -15.858 -14.840 1.00 32.43 C ATOM 78 O SER A 7 -59.506 -16.199 -13.830 1.00 32.42 O ATOM 79 CB SER A 7 -62.122 -17.139 -14.045 1.00 33.49 C ATOM 80 OG SER A 7 -63.177 -18.009 -14.425 1.00 33.98 O ATOM 0 H SER A 7 -61.051 -18.586 -15.754 1.00 33.71 H new ATOM 0 HA SER A 7 -62.054 -15.877 -15.774 1.00 33.13 H new ATOM 0 HB2 SER A 7 -61.415 -17.675 -13.412 1.00 33.49 H new ATOM 0 HB3 SER A 7 -62.521 -16.316 -13.452 1.00 33.49 H new ATOM 0 HG SER A 7 -63.624 -18.351 -13.623 1.00 33.98 H new ATOM 86 N LEU A 8 -59.722 -14.871 -15.632 1.00 31.93 N ATOM 87 CA LEU A 8 -58.473 -14.158 -15.402 1.00 31.32 C ATOM 88 C LEU A 8 -58.582 -13.234 -14.193 1.00 30.56 C ATOM 89 O LEU A 8 -59.374 -12.291 -14.188 1.00 30.33 O ATOM 90 CB LEU A 8 -58.090 -13.342 -16.637 1.00 31.31 C ATOM 91 CG LEU A 8 -57.842 -14.157 -17.910 1.00 32.11 C ATOM 92 CD1 LEU A 8 -57.588 -13.235 -19.089 1.00 32.24 C ATOM 93 CD2 LEU A 8 -56.669 -15.108 -17.724 1.00 32.31 C ATOM 0 H LEU A 8 -60.248 -14.545 -16.443 1.00 31.93 H new ATOM 0 HA LEU A 8 -57.699 -14.899 -15.204 1.00 31.32 H new ATOM 0 HB2 LEU A 8 -58.883 -12.621 -16.836 1.00 31.31 H new ATOM 0 HB3 LEU A 8 -57.190 -12.771 -16.410 1.00 31.31 H new ATOM 0 HG LEU A 8 -58.735 -14.748 -18.113 1.00 32.11 H new ATOM 0 HD11 LEU A 8 -57.414 -13.830 -19.985 1.00 32.24 H new ATOM 0 HD12 LEU A 8 -58.456 -12.593 -19.243 1.00 32.24 H new ATOM 0 HD13 LEU A 8 -56.712 -12.619 -18.887 1.00 32.24 H new ATOM 0 HD21 LEU A 8 -56.512 -15.676 -18.641 1.00 32.31 H new ATOM 0 HD22 LEU A 8 -55.770 -14.536 -17.493 1.00 32.31 H new ATOM 0 HD23 LEU A 8 -56.883 -15.794 -16.905 1.00 32.31 H new ATOM 105 N VAL A 9 -57.789 -13.511 -13.167 1.00 30.24 N ATOM 106 CA VAL A 9 -57.760 -12.666 -11.982 1.00 29.57 C ATOM 107 C VAL A 9 -56.732 -11.552 -12.150 1.00 29.50 C ATOM 108 O VAL A 9 -56.795 -10.514 -11.489 1.00 29.74 O ATOM 109 CB VAL A 9 -57.485 -13.494 -10.701 1.00 29.39 C ATOM 110 CG1 VAL A 9 -56.135 -14.199 -10.770 1.00 28.95 C ATOM 111 CG2 VAL A 9 -57.582 -12.624 -9.454 1.00 29.66 C ATOM 0 H VAL A 9 -57.159 -14.312 -13.132 1.00 30.24 H new ATOM 0 HA VAL A 9 -58.744 -12.211 -11.866 1.00 29.57 H new ATOM 0 HB VAL A 9 -58.255 -14.262 -10.637 1.00 29.39 H new ATOM 0 HG11 VAL A 9 -55.976 -14.770 -9.855 1.00 28.95 H new ATOM 0 HG12 VAL A 9 -56.120 -14.874 -11.626 1.00 28.95 H new ATOM 0 HG13 VAL A 9 -55.343 -13.458 -10.878 1.00 28.95 H new ATOM 0 HG21 VAL A 9 -57.385 -13.231 -8.571 1.00 29.66 H new ATOM 0 HG22 VAL A 9 -56.848 -11.820 -9.513 1.00 29.66 H new ATOM 0 HG23 VAL A 9 -58.583 -12.198 -9.385 1.00 29.66 H new ATOM 121 N GLN A 10 -55.815 -11.781 -13.078 1.00 29.28 N ATOM 122 CA GLN A 10 -54.799 -10.793 -13.462 1.00 29.30 C ATOM 123 C GLN A 10 -53.970 -10.314 -12.264 1.00 28.60 C ATOM 124 O GLN A 10 -53.495 -9.176 -12.234 1.00 28.70 O ATOM 125 CB GLN A 10 -55.471 -9.607 -14.167 1.00 29.33 C ATOM 126 CG GLN A 10 -56.016 -9.955 -15.543 1.00 29.73 C ATOM 127 CD GLN A 10 -56.887 -8.863 -16.140 1.00 30.01 C ATOM 128 OE1 GLN A 10 -57.613 -8.141 -15.296 1.00 30.47 O flip ATOM 129 NE2 GLN A 10 -56.920 -8.679 -17.357 1.00 29.80 N flip ATOM 0 H GLN A 10 -55.748 -12.659 -13.592 1.00 29.28 H new ATOM 0 HA GLN A 10 -54.105 -11.278 -14.149 1.00 29.30 H new ATOM 0 HB2 GLN A 10 -56.286 -9.237 -13.544 1.00 29.33 H new ATOM 0 HB3 GLN A 10 -54.750 -8.795 -14.264 1.00 29.33 H new ATOM 0 HG2 GLN A 10 -55.182 -10.153 -16.216 1.00 29.73 H new ATOM 0 HG3 GLN A 10 -56.596 -10.875 -15.474 1.00 29.73 H new ATOM 0 HE21 GLN A 10 -56.348 -9.254 -17.975 1.00 29.80 H new ATOM 0 HE22 GLN A 10 -57.520 -7.952 -17.747 1.00 29.80 H new ATOM 138 N GLY A 11 -53.751 -11.199 -11.304 1.00 27.99 N ATOM 139 CA GLY A 11 -53.012 -10.834 -10.112 1.00 27.37 C ATOM 140 C GLY A 11 -51.534 -11.140 -10.235 1.00 27.00 C ATOM 141 O GLY A 11 -50.980 -11.905 -9.448 1.00 26.96 O ATOM 0 H GLY A 11 -54.073 -12.167 -11.329 1.00 27.99 H new ATOM 0 HA2 GLY A 11 -53.145 -9.770 -9.916 1.00 27.37 H new ATOM 0 HA3 GLY A 11 -53.421 -11.369 -9.255 1.00 27.37 H new ATOM 145 N LEU A 12 -50.897 -10.550 -11.230 1.00 26.82 N ATOM 146 CA LEU A 12 -49.471 -10.757 -11.454 1.00 26.55 C ATOM 147 C LEU A 12 -48.673 -9.557 -10.957 1.00 25.80 C ATOM 148 O LEU A 12 -47.485 -9.662 -10.664 1.00 25.54 O ATOM 149 CB LEU A 12 -49.181 -10.986 -12.939 1.00 27.23 C ATOM 150 CG LEU A 12 -49.628 -9.852 -13.867 1.00 28.12 C ATOM 151 CD1 LEU A 12 -48.687 -9.728 -15.059 1.00 28.61 C ATOM 152 CD2 LEU A 12 -51.052 -10.084 -14.349 1.00 28.64 C ATOM 0 H LEU A 12 -51.342 -9.922 -11.899 1.00 26.82 H new ATOM 0 HA LEU A 12 -49.170 -11.643 -10.896 1.00 26.55 H new ATOM 0 HB2 LEU A 12 -48.109 -11.138 -13.065 1.00 27.23 H new ATOM 0 HB3 LEU A 12 -49.673 -11.907 -13.252 1.00 27.23 H new ATOM 0 HG LEU A 12 -49.597 -8.921 -13.301 1.00 28.12 H new ATOM 0 HD11 LEU A 12 -49.023 -8.917 -15.705 1.00 28.61 H new ATOM 0 HD12 LEU A 12 -47.678 -9.516 -14.705 1.00 28.61 H new ATOM 0 HD13 LEU A 12 -48.686 -10.662 -15.620 1.00 28.61 H new ATOM 0 HD21 LEU A 12 -51.351 -9.268 -15.007 1.00 28.64 H new ATOM 0 HD22 LEU A 12 -51.103 -11.027 -14.894 1.00 28.64 H new ATOM 0 HD23 LEU A 12 -51.724 -10.124 -13.492 1.00 28.64 H new ATOM 164 N THR A 13 -49.346 -8.419 -10.873 1.00 25.53 N ATOM 165 CA THR A 13 -48.713 -7.173 -10.458 1.00 24.91 C ATOM 166 C THR A 13 -49.179 -6.720 -9.063 1.00 24.79 C ATOM 167 O THR A 13 -48.353 -6.310 -8.255 1.00 24.22 O ATOM 168 CB THR A 13 -48.994 -6.059 -11.485 1.00 24.58 C ATOM 169 OG1 THR A 13 -48.783 -6.559 -12.813 1.00 24.93 O ATOM 170 CG2 THR A 13 -48.094 -4.855 -11.245 1.00 24.35 C ATOM 0 H THR A 13 -50.339 -8.332 -11.089 1.00 25.53 H new ATOM 0 HA THR A 13 -47.641 -7.363 -10.406 1.00 24.91 H new ATOM 0 HB THR A 13 -50.031 -5.743 -11.371 1.00 24.58 H new ATOM 0 HG1 THR A 13 -48.964 -5.848 -13.463 1.00 24.93 H new ATOM 0 HG21 THR A 13 -48.313 -4.084 -11.984 1.00 24.35 H new ATOM 0 HG22 THR A 13 -48.273 -4.461 -10.245 1.00 24.35 H new ATOM 0 HG23 THR A 13 -47.051 -5.157 -11.335 1.00 24.35 H new ATOM 178 N PRO A 14 -50.504 -6.756 -8.758 1.00 25.42 N ATOM 179 CA PRO A 14 -51.017 -6.376 -7.429 1.00 25.50 C ATOM 180 C PRO A 14 -50.287 -7.031 -6.232 1.00 24.95 C ATOM 181 O PRO A 14 -49.932 -6.328 -5.291 1.00 24.63 O ATOM 182 CB PRO A 14 -52.483 -6.811 -7.479 1.00 26.39 C ATOM 183 CG PRO A 14 -52.847 -6.719 -8.918 1.00 26.81 C ATOM 184 CD PRO A 14 -51.608 -7.100 -9.681 1.00 26.21 C ATOM 0 HA PRO A 14 -50.864 -5.311 -7.252 1.00 25.50 H new ATOM 0 HB2 PRO A 14 -52.610 -7.826 -7.101 1.00 26.39 H new ATOM 0 HB3 PRO A 14 -53.111 -6.163 -6.868 1.00 26.39 H new ATOM 0 HG2 PRO A 14 -53.674 -7.389 -9.156 1.00 26.81 H new ATOM 0 HG3 PRO A 14 -53.170 -5.710 -9.176 1.00 26.81 H new ATOM 0 HD2 PRO A 14 -51.603 -8.161 -9.932 1.00 26.21 H new ATOM 0 HD3 PRO A 14 -51.531 -6.550 -10.619 1.00 26.21 H new ATOM 192 N PRO A 15 -50.084 -8.376 -6.207 1.00 24.93 N ATOM 193 CA PRO A 15 -49.396 -9.040 -5.081 1.00 24.50 C ATOM 194 C PRO A 15 -47.982 -8.489 -4.777 1.00 23.52 C ATOM 195 O PRO A 15 -47.696 -8.161 -3.621 1.00 23.07 O ATOM 196 CB PRO A 15 -49.337 -10.510 -5.501 1.00 25.00 C ATOM 197 CG PRO A 15 -50.451 -10.666 -6.477 1.00 25.60 C ATOM 198 CD PRO A 15 -50.533 -9.359 -7.214 1.00 25.43 C ATOM 0 HA PRO A 15 -49.935 -8.868 -4.149 1.00 24.50 H new ATOM 0 HB2 PRO A 15 -48.376 -10.755 -5.954 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -49.464 -11.172 -4.645 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -50.258 -11.491 -7.163 1.00 25.60 H new ATOM 0 HG3 PRO A 15 -51.389 -10.888 -5.968 1.00 25.60 H new ATOM 0 HD2 PRO A 15 -49.893 -9.353 -8.096 1.00 25.43 H new ATOM 0 HD3 PRO A 15 -51.547 -9.152 -7.555 1.00 25.43 H new ATOM 206 N PRO A 16 -47.058 -8.416 -5.764 1.00 23.25 N ATOM 207 CA PRO A 16 -45.741 -7.813 -5.546 1.00 22.42 C ATOM 208 C PRO A 16 -45.778 -6.291 -5.703 1.00 22.03 C ATOM 209 O PRO A 16 -46.858 -5.707 -5.750 1.00 22.10 O ATOM 210 CB PRO A 16 -44.892 -8.455 -6.636 1.00 22.52 C ATOM 211 CG PRO A 16 -45.841 -8.659 -7.765 1.00 23.30 C ATOM 212 CD PRO A 16 -47.190 -8.926 -7.146 1.00 23.82 C ATOM 0 HA PRO A 16 -45.360 -7.981 -4.539 1.00 22.42 H new ATOM 0 HB2 PRO A 16 -44.062 -7.811 -6.925 1.00 22.52 H new ATOM 0 HB3 PRO A 16 -44.462 -9.399 -6.302 1.00 22.52 H new ATOM 0 HG2 PRO A 16 -45.876 -7.779 -8.407 1.00 23.30 H new ATOM 0 HG3 PRO A 16 -45.528 -9.496 -8.389 1.00 23.30 H new ATOM 0 HD2 PRO A 16 -47.985 -8.413 -7.686 1.00 23.82 H new ATOM 0 HD3 PRO A 16 -47.431 -9.989 -7.158 1.00 23.82 H new ATOM 220 N ASP A 17 -44.594 -5.668 -5.788 1.00 21.73 N ATOM 221 CA ASP A 17 -44.459 -4.206 -5.915 1.00 21.48 C ATOM 222 C ASP A 17 -44.999 -3.487 -4.680 1.00 20.70 C ATOM 223 O ASP A 17 -44.230 -2.991 -3.857 1.00 20.31 O ATOM 224 CB ASP A 17 -45.151 -3.696 -7.187 1.00 21.48 C ATOM 225 CG ASP A 17 -44.341 -3.966 -8.448 1.00 21.55 C ATOM 226 OD1 ASP A 17 -43.938 -5.131 -8.658 1.00 21.44 O ATOM 227 OD2 ASP A 17 -44.106 -3.022 -9.234 1.00 21.80 O ATOM 0 H ASP A 17 -43.702 -6.162 -5.771 1.00 21.73 H new ATOM 0 HA ASP A 17 -43.395 -3.981 -5.993 1.00 21.48 H new ATOM 0 HB2 ASP A 17 -46.128 -4.171 -7.279 1.00 21.48 H new ATOM 0 HB3 ASP A 17 -45.326 -2.624 -7.095 1.00 21.48 H new ATOM 232 N PHE A 18 -46.318 -3.472 -4.538 1.00 20.58 N ATOM 233 CA PHE A 18 -46.970 -2.865 -3.386 1.00 19.96 C ATOM 234 C PHE A 18 -47.119 -3.899 -2.276 1.00 19.47 C ATOM 235 O PHE A 18 -48.114 -3.918 -1.542 1.00 19.17 O ATOM 236 CB PHE A 18 -48.340 -2.313 -3.786 1.00 20.48 C ATOM 237 CG PHE A 18 -48.273 -1.228 -4.827 1.00 20.66 C ATOM 238 CD1 PHE A 18 -48.005 0.083 -4.461 1.00 20.54 C ATOM 239 CD2 PHE A 18 -48.478 -1.516 -6.170 1.00 21.10 C ATOM 240 CE1 PHE A 18 -47.944 1.084 -5.411 1.00 20.84 C ATOM 241 CE2 PHE A 18 -48.419 -0.517 -7.124 1.00 21.40 C ATOM 242 CZ PHE A 18 -48.145 0.772 -6.755 1.00 21.27 C ATOM 0 H PHE A 18 -46.963 -3.879 -5.215 1.00 20.58 H new ATOM 0 HA PHE A 18 -46.358 -2.040 -3.022 1.00 19.96 H new ATOM 0 HB2 PHE A 18 -48.955 -3.130 -4.164 1.00 20.48 H new ATOM 0 HB3 PHE A 18 -48.838 -1.923 -2.898 1.00 20.48 H new ATOM 0 HD1 PHE A 18 -47.842 0.324 -3.421 1.00 20.54 H new ATOM 0 HD2 PHE A 18 -48.686 -2.532 -6.473 1.00 21.10 H new ATOM 0 HE1 PHE A 18 -47.742 2.103 -5.114 1.00 20.84 H new ATOM 0 HE2 PHE A 18 -48.590 -0.755 -8.164 1.00 21.40 H new ATOM 0 HZ PHE A 18 -48.084 1.547 -7.504 1.00 21.27 H new ATOM 252 N ASN A 19 -46.099 -4.735 -2.144 1.00 19.51 N ATOM 253 CA ASN A 19 -46.117 -5.835 -1.192 1.00 19.22 C ATOM 254 C ASN A 19 -45.853 -5.320 0.221 1.00 18.44 C ATOM 255 O ASN A 19 -45.107 -4.356 0.426 1.00 18.17 O ATOM 256 CB ASN A 19 -45.076 -6.902 -1.577 1.00 19.70 C ATOM 257 CG ASN A 19 -43.657 -6.359 -1.574 1.00 20.22 C ATOM 258 OD1 ASN A 19 -42.979 -6.376 -0.549 1.00 20.50 O ATOM 259 ND2 ASN A 19 -43.197 -5.884 -2.723 1.00 20.47 N ATOM 0 H ASN A 19 -45.240 -4.670 -2.691 1.00 19.51 H new ATOM 0 HA ASN A 19 -47.105 -6.294 -1.216 1.00 19.22 H new ATOM 0 HB2 ASN A 19 -45.143 -7.738 -0.881 1.00 19.70 H new ATOM 0 HB3 ASN A 19 -45.310 -7.292 -2.567 1.00 19.70 H new ATOM 0 HD21 ASN A 19 -42.248 -5.515 -2.779 1.00 20.47 H new ATOM 0 HD22 ASN A 19 -43.792 -5.888 -3.551 1.00 20.47 H new ATOM 266 N GLN A 20 -46.490 -5.947 1.195 1.00 18.18 N ATOM 267 CA GLN A 20 -46.308 -5.573 2.586 1.00 17.53 C ATOM 268 C GLN A 20 -45.370 -6.546 3.279 1.00 17.18 C ATOM 269 O GLN A 20 -44.560 -6.148 4.098 1.00 16.92 O ATOM 270 CB GLN A 20 -47.653 -5.514 3.306 1.00 17.65 C ATOM 271 CG GLN A 20 -48.639 -4.557 2.658 1.00 18.17 C ATOM 272 CD GLN A 20 -49.906 -4.383 3.469 1.00 18.45 C ATOM 273 OE1 GLN A 20 -49.887 -4.482 4.695 1.00 18.40 O ATOM 274 NE2 GLN A 20 -51.016 -4.129 2.794 1.00 18.86 N ATOM 0 H GLN A 20 -47.139 -6.719 1.047 1.00 18.18 H new ATOM 0 HA GLN A 20 -45.859 -4.580 2.621 1.00 17.53 H new ATOM 0 HB2 GLN A 20 -48.089 -6.513 3.330 1.00 17.65 H new ATOM 0 HB3 GLN A 20 -47.491 -5.212 4.341 1.00 17.65 H new ATOM 0 HG2 GLN A 20 -48.162 -3.586 2.525 1.00 18.17 H new ATOM 0 HG3 GLN A 20 -48.896 -4.925 1.665 1.00 18.17 H new ATOM 0 HE21 GLN A 20 -50.989 -4.055 1.777 1.00 18.86 H new ATOM 0 HE22 GLN A 20 -51.899 -4.008 3.291 1.00 18.86 H new ATOM 283 N CYS A 21 -45.501 -7.825 2.947 1.00 17.29 N ATOM 284 CA CYS A 21 -44.606 -8.875 3.452 1.00 17.13 C ATOM 285 C CYS A 21 -44.582 -8.968 4.987 1.00 16.75 C ATOM 286 O CYS A 21 -43.754 -9.684 5.555 1.00 16.28 O ATOM 287 CB CYS A 21 -43.187 -8.671 2.909 1.00 16.85 C ATOM 288 SG CYS A 21 -43.064 -8.826 1.109 1.00 17.55 S ATOM 0 H CYS A 21 -46.229 -8.170 2.321 1.00 17.29 H new ATOM 0 HA CYS A 21 -45.006 -9.823 3.091 1.00 17.13 H new ATOM 0 HB2 CYS A 21 -42.834 -7.683 3.204 1.00 16.85 H new ATOM 0 HB3 CYS A 21 -42.522 -9.399 3.373 1.00 16.85 H new ATOM 0 HG CYS A 21 -43.022 -7.642 0.573 1.00 17.55 H new ATOM 294 N LEU A 22 -45.494 -8.251 5.646 1.00 17.08 N ATOM 295 CA LEU A 22 -45.638 -8.307 7.102 1.00 16.96 C ATOM 296 C LEU A 22 -44.337 -7.949 7.827 1.00 16.12 C ATOM 297 O LEU A 22 -44.079 -8.457 8.917 1.00 16.24 O ATOM 298 CB LEU A 22 -46.112 -9.703 7.553 1.00 17.70 C ATOM 299 CG LEU A 22 -47.559 -10.076 7.202 1.00 18.56 C ATOM 300 CD1 LEU A 22 -48.510 -8.971 7.609 1.00 18.72 C ATOM 301 CD2 LEU A 22 -47.704 -10.391 5.722 1.00 19.08 C ATOM 0 H LEU A 22 -46.150 -7.618 5.189 1.00 17.08 H new ATOM 0 HA LEU A 22 -46.389 -7.564 7.370 1.00 16.96 H new ATOM 0 HB2 LEU A 22 -45.450 -10.448 7.112 1.00 17.70 H new ATOM 0 HB3 LEU A 22 -45.994 -9.772 8.634 1.00 17.70 H new ATOM 0 HG LEU A 22 -47.816 -10.976 7.761 1.00 18.56 H new ATOM 0 HD11 LEU A 22 -49.530 -9.256 7.351 1.00 18.72 H new ATOM 0 HD12 LEU A 22 -48.439 -8.808 8.684 1.00 18.72 H new ATOM 0 HD13 LEU A 22 -48.246 -8.052 7.085 1.00 18.72 H new ATOM 0 HD21 LEU A 22 -48.740 -10.651 5.505 1.00 19.08 H new ATOM 0 HD22 LEU A 22 -47.419 -9.518 5.135 1.00 19.08 H new ATOM 0 HD23 LEU A 22 -47.057 -11.230 5.463 1.00 19.08 H new ATOM 313 N LYS A 23 -43.540 -7.044 7.260 1.00 15.37 N ATOM 314 CA LYS A 23 -42.268 -6.663 7.882 1.00 14.61 C ATOM 315 C LYS A 23 -42.462 -5.654 9.008 1.00 14.25 C ATOM 316 O LYS A 23 -41.634 -4.760 9.185 1.00 13.68 O ATOM 317 CB LYS A 23 -41.285 -6.076 6.867 1.00 14.14 C ATOM 318 CG LYS A 23 -41.820 -5.931 5.454 1.00 14.53 C ATOM 319 CD LYS A 23 -42.243 -4.505 5.146 1.00 14.23 C ATOM 320 CE LYS A 23 -43.471 -4.066 5.912 1.00 14.39 C ATOM 321 NZ LYS A 23 -43.948 -2.744 5.439 1.00 14.38 N ATOM 0 H LYS A 23 -43.746 -6.565 6.383 1.00 15.37 H new ATOM 0 HA LYS A 23 -41.855 -7.585 8.291 1.00 14.61 H new ATOM 0 HB2 LYS A 23 -40.967 -5.095 7.220 1.00 14.14 H new ATOM 0 HB3 LYS A 23 -40.397 -6.708 6.839 1.00 14.14 H new ATOM 0 HG2 LYS A 23 -41.055 -6.243 4.743 1.00 14.53 H new ATOM 0 HG3 LYS A 23 -42.671 -6.598 5.319 1.00 14.53 H new ATOM 0 HD2 LYS A 23 -41.419 -3.831 5.378 1.00 14.23 H new ATOM 0 HD3 LYS A 23 -42.438 -4.414 4.077 1.00 14.23 H new ATOM 0 HE2 LYS A 23 -44.262 -4.806 5.793 1.00 14.39 H new ATOM 0 HE3 LYS A 23 -43.241 -4.014 6.976 1.00 14.39 H new ATOM 0 HZ1 LYS A 23 -44.631 -2.357 6.121 1.00 14.38 H new ATOM 0 HZ2 LYS A 23 -43.140 -2.095 5.352 1.00 14.38 H new ATOM 0 HZ3 LYS A 23 -44.407 -2.852 4.512 1.00 14.38 H new ATOM 335 N ASN A 24 -43.552 -5.810 9.755 1.00 14.73 N ATOM 336 CA ASN A 24 -43.826 -5.015 10.956 1.00 14.67 C ATOM 337 C ASN A 24 -44.208 -3.578 10.612 1.00 13.87 C ATOM 338 O ASN A 24 -45.324 -3.152 10.886 1.00 14.11 O ATOM 339 CB ASN A 24 -42.622 -5.016 11.908 1.00 14.94 C ATOM 340 CG ASN A 24 -42.192 -6.412 12.322 1.00 15.80 C ATOM 341 OD1 ASN A 24 -43.131 -7.341 12.365 1.00 16.18 O flip ATOM 342 ND2 ASN A 24 -41.018 -6.653 12.599 1.00 16.23 N flip ATOM 0 H ASN A 24 -44.277 -6.496 9.545 1.00 14.73 H new ATOM 0 HA ASN A 24 -44.674 -5.484 11.455 1.00 14.67 H new ATOM 0 HB2 ASN A 24 -41.784 -4.512 11.426 1.00 14.94 H new ATOM 0 HB3 ASN A 24 -42.870 -4.439 12.799 1.00 14.94 H new ATOM 0 HD21 ASN A 24 -40.321 -5.910 12.555 1.00 16.23 H new ATOM 0 HD22 ASN A 24 -40.742 -7.596 12.873 1.00 16.23 H new ATOM 349 N SER A 25 -43.287 -2.858 9.972 1.00 13.05 N ATOM 350 CA SER A 25 -43.434 -1.427 9.727 1.00 12.28 C ATOM 351 C SER A 25 -43.394 -0.640 11.040 1.00 12.15 C ATOM 352 O SER A 25 -44.397 -0.084 11.476 1.00 12.30 O ATOM 353 CB SER A 25 -44.726 -1.119 8.964 1.00 12.37 C ATOM 354 OG SER A 25 -44.609 -1.475 7.605 1.00 12.97 O ATOM 0 H SER A 25 -42.419 -3.252 9.610 1.00 13.05 H new ATOM 0 HA SER A 25 -42.593 -1.115 9.108 1.00 12.28 H new ATOM 0 HB2 SER A 25 -45.557 -1.662 9.415 1.00 12.37 H new ATOM 0 HB3 SER A 25 -44.957 -0.057 9.047 1.00 12.37 H new ATOM 0 HG SER A 25 -43.985 -0.865 7.160 1.00 12.97 H new ATOM 360 N PRO A 26 -42.224 -0.596 11.700 1.00 12.10 N ATOM 361 CA PRO A 26 -42.053 0.160 12.939 1.00 12.18 C ATOM 362 C PRO A 26 -41.805 1.641 12.675 1.00 11.48 C ATOM 363 O PRO A 26 -41.990 2.481 13.554 1.00 11.60 O ATOM 364 CB PRO A 26 -40.819 -0.492 13.564 1.00 12.53 C ATOM 365 CG PRO A 26 -40.010 -0.971 12.404 1.00 12.59 C ATOM 366 CD PRO A 26 -40.984 -1.298 11.302 1.00 12.23 C ATOM 0 HA PRO A 26 -42.938 0.131 13.575 1.00 12.18 H new ATOM 0 HB2 PRO A 26 -40.259 0.221 14.169 1.00 12.53 H new ATOM 0 HB3 PRO A 26 -41.097 -1.317 14.220 1.00 12.53 H new ATOM 0 HG2 PRO A 26 -39.304 -0.205 12.082 1.00 12.59 H new ATOM 0 HG3 PRO A 26 -39.425 -1.849 12.677 1.00 12.59 H new ATOM 0 HD2 PRO A 26 -40.622 -0.951 10.334 1.00 12.23 H new ATOM 0 HD3 PRO A 26 -41.144 -2.373 11.216 1.00 12.23 H new ATOM 374 N ASP A 27 -41.404 1.937 11.443 1.00 10.92 N ATOM 375 CA ASP A 27 -41.056 3.292 11.021 1.00 10.34 C ATOM 376 C ASP A 27 -40.504 3.233 9.602 1.00 9.92 C ATOM 377 O ASP A 27 -40.922 3.980 8.722 1.00 10.16 O ATOM 378 CB ASP A 27 -40.008 3.904 11.960 1.00 10.24 C ATOM 379 CG ASP A 27 -39.841 5.398 11.766 1.00 10.06 C ATOM 380 OD1 ASP A 27 -39.322 5.806 10.716 1.00 10.17 O ATOM 381 OD2 ASP A 27 -40.207 6.167 12.681 1.00 9.96 O ATOM 0 H ASP A 27 -41.310 1.240 10.704 1.00 10.92 H new ATOM 0 HA ASP A 27 -41.947 3.918 11.055 1.00 10.34 H new ATOM 0 HB2 ASP A 27 -40.294 3.707 12.993 1.00 10.24 H new ATOM 0 HB3 ASP A 27 -39.049 3.412 11.796 1.00 10.24 H new ATOM 386 N GLU A 28 -39.568 2.298 9.409 1.00 9.51 N ATOM 387 CA GLU A 28 -38.938 2.032 8.111 1.00 9.33 C ATOM 388 C GLU A 28 -38.178 3.249 7.565 1.00 8.90 C ATOM 389 O GLU A 28 -38.011 3.398 6.355 1.00 9.13 O ATOM 390 CB GLU A 28 -39.964 1.517 7.100 1.00 10.13 C ATOM 391 CG GLU A 28 -40.525 0.149 7.475 1.00 10.77 C ATOM 392 CD GLU A 28 -41.259 -0.529 6.332 1.00 11.21 C ATOM 393 OE1 GLU A 28 -40.603 -0.926 5.346 1.00 11.40 O ATOM 394 OE2 GLU A 28 -42.499 -0.653 6.407 1.00 11.54 O ATOM 0 H GLU A 28 -39.222 1.698 10.158 1.00 9.51 H new ATOM 0 HA GLU A 28 -38.196 1.250 8.273 1.00 9.33 H new ATOM 0 HB2 GLU A 28 -40.783 2.232 7.023 1.00 10.13 H new ATOM 0 HB3 GLU A 28 -39.500 1.457 6.116 1.00 10.13 H new ATOM 0 HG2 GLU A 28 -39.709 -0.493 7.806 1.00 10.77 H new ATOM 0 HG3 GLU A 28 -41.205 0.261 8.319 1.00 10.77 H new ATOM 401 N LYS A 29 -37.671 4.077 8.477 1.00 8.50 N ATOM 402 CA LYS A 29 -36.801 5.209 8.128 1.00 8.24 C ATOM 403 C LYS A 29 -35.388 4.737 7.757 1.00 7.81 C ATOM 404 O LYS A 29 -34.412 5.471 7.929 1.00 7.74 O ATOM 405 CB LYS A 29 -36.718 6.207 9.303 1.00 8.29 C ATOM 406 CG LYS A 29 -35.843 5.781 10.500 1.00 8.34 C ATOM 407 CD LYS A 29 -36.405 4.597 11.285 1.00 8.62 C ATOM 408 CE LYS A 29 -35.855 3.266 10.783 1.00 8.72 C ATOM 409 NZ LYS A 29 -36.225 2.127 11.667 1.00 9.11 N ATOM 0 H LYS A 29 -37.849 3.986 9.477 1.00 8.50 H new ATOM 0 HA LYS A 29 -37.239 5.703 7.261 1.00 8.24 H new ATOM 0 HB2 LYS A 29 -36.338 7.154 8.921 1.00 8.29 H new ATOM 0 HB3 LYS A 29 -37.729 6.392 9.667 1.00 8.29 H new ATOM 0 HG2 LYS A 29 -34.848 5.525 10.137 1.00 8.34 H new ATOM 0 HG3 LYS A 29 -35.728 6.630 11.174 1.00 8.34 H new ATOM 0 HD2 LYS A 29 -36.162 4.714 12.341 1.00 8.62 H new ATOM 0 HD3 LYS A 29 -37.492 4.593 11.206 1.00 8.62 H new ATOM 0 HE2 LYS A 29 -36.230 3.078 9.777 1.00 8.72 H new ATOM 0 HE3 LYS A 29 -34.769 3.329 10.712 1.00 8.72 H new ATOM 0 HZ1 LYS A 29 -35.828 1.246 11.283 1.00 9.11 H new ATOM 0 HZ2 LYS A 29 -35.845 2.291 12.621 1.00 9.11 H new ATOM 0 HZ3 LYS A 29 -37.261 2.047 11.715 1.00 9.11 H new ATOM 423 N PHE A 30 -35.297 3.522 7.225 1.00 7.78 N ATOM 424 CA PHE A 30 -34.018 2.886 6.928 1.00 7.70 C ATOM 425 C PHE A 30 -33.141 2.837 8.181 1.00 7.44 C ATOM 426 O PHE A 30 -33.467 2.139 9.142 1.00 7.61 O ATOM 427 CB PHE A 30 -33.293 3.600 5.775 1.00 7.98 C ATOM 428 CG PHE A 30 -34.081 3.651 4.498 1.00 8.78 C ATOM 429 CD1 PHE A 30 -34.257 2.510 3.731 1.00 9.49 C ATOM 430 CD2 PHE A 30 -34.635 4.842 4.055 1.00 9.03 C ATOM 431 CE1 PHE A 30 -34.972 2.557 2.550 1.00 10.39 C ATOM 432 CE2 PHE A 30 -35.353 4.891 2.876 1.00 9.98 C ATOM 433 CZ PHE A 30 -35.520 3.749 2.122 1.00 10.64 C ATOM 0 H PHE A 30 -36.108 2.951 6.988 1.00 7.78 H new ATOM 0 HA PHE A 30 -34.216 1.863 6.607 1.00 7.70 H new ATOM 0 HB2 PHE A 30 -33.055 4.618 6.084 1.00 7.98 H new ATOM 0 HB3 PHE A 30 -32.346 3.094 5.586 1.00 7.98 H new ATOM 0 HD1 PHE A 30 -33.830 1.574 4.060 1.00 9.49 H new ATOM 0 HD2 PHE A 30 -34.504 5.742 4.638 1.00 9.03 H new ATOM 0 HE1 PHE A 30 -35.102 1.661 1.962 1.00 10.39 H new ATOM 0 HE2 PHE A 30 -35.784 5.824 2.545 1.00 9.98 H new ATOM 0 HZ PHE A 30 -36.078 3.787 1.198 1.00 10.64 H new ATOM 443 N PHE A 31 -32.049 3.591 8.179 1.00 7.30 N ATOM 444 CA PHE A 31 -31.130 3.608 9.300 1.00 7.33 C ATOM 445 C PHE A 31 -30.785 5.043 9.672 1.00 7.51 C ATOM 446 O PHE A 31 -29.685 5.292 10.177 1.00 7.81 O ATOM 447 CB PHE A 31 -29.844 2.882 8.933 1.00 7.36 C ATOM 448 CG PHE A 31 -30.048 1.542 8.279 1.00 7.57 C ATOM 449 CD1 PHE A 31 -30.325 0.420 9.041 1.00 7.97 C ATOM 450 CD2 PHE A 31 -29.967 1.408 6.905 1.00 7.70 C ATOM 451 CE1 PHE A 31 -30.515 -0.810 8.441 1.00 8.50 C ATOM 452 CE2 PHE A 31 -30.156 0.182 6.299 1.00 8.21 C ATOM 453 CZ PHE A 31 -30.431 -0.929 7.069 1.00 8.62 C ATOM 0 H PHE A 31 -31.781 4.201 7.407 1.00 7.30 H new ATOM 0 HA PHE A 31 -31.609 3.111 10.143 1.00 7.33 H new ATOM 0 HB2 PHE A 31 -29.263 3.515 8.262 1.00 7.36 H new ATOM 0 HB3 PHE A 31 -29.249 2.745 9.836 1.00 7.36 H new ATOM 0 HD1 PHE A 31 -30.393 0.507 10.115 1.00 7.97 H new ATOM 0 HD2 PHE A 31 -29.753 2.275 6.297 1.00 7.70 H new ATOM 0 HE1 PHE A 31 -30.729 -1.679 9.046 1.00 8.50 H new ATOM 0 HE2 PHE A 31 -30.089 0.093 5.225 1.00 8.21 H new ATOM 0 HZ PHE A 31 -30.580 -1.890 6.599 1.00 8.62 H new ATOM 463 N SER A 32 -31.754 5.943 9.446 1.00 7.60 N ATOM 464 CA SER A 32 -31.596 7.402 9.580 1.00 8.12 C ATOM 465 C SER A 32 -30.449 7.787 10.503 1.00 8.57 C ATOM 466 O SER A 32 -29.404 8.268 10.055 1.00 9.15 O ATOM 467 CB SER A 32 -32.903 8.010 10.102 1.00 8.65 C ATOM 468 OG SER A 32 -32.856 9.425 10.093 1.00 9.33 O ATOM 0 H SER A 32 -32.694 5.671 9.158 1.00 7.60 H new ATOM 0 HA SER A 32 -31.358 7.795 8.592 1.00 8.12 H new ATOM 0 HB2 SER A 32 -33.736 7.668 9.487 1.00 8.65 H new ATOM 0 HB3 SER A 32 -33.090 7.657 11.116 1.00 8.65 H new ATOM 0 HG SER A 32 -32.308 9.739 10.842 1.00 9.33 H new ATOM 474 N ASP A 33 -30.632 7.541 11.790 1.00 8.53 N ATOM 475 CA ASP A 33 -29.631 7.924 12.769 1.00 9.12 C ATOM 476 C ASP A 33 -29.321 6.775 13.722 1.00 9.48 C ATOM 477 O ASP A 33 -28.868 6.987 14.846 1.00 10.03 O ATOM 478 CB ASP A 33 -30.112 9.141 13.561 1.00 9.83 C ATOM 479 CG ASP A 33 -30.311 10.370 12.696 1.00 10.39 C ATOM 480 OD1 ASP A 33 -31.390 10.502 12.080 1.00 10.68 O ATOM 481 OD2 ASP A 33 -29.386 11.206 12.625 1.00 10.73 O ATOM 0 H ASP A 33 -31.456 7.082 12.177 1.00 8.53 H new ATOM 0 HA ASP A 33 -28.716 8.178 12.234 1.00 9.12 H new ATOM 0 HB2 ASP A 33 -31.051 8.897 14.057 1.00 9.83 H new ATOM 0 HB3 ASP A 33 -29.388 9.368 14.344 1.00 9.83 H new ATOM 486 N PHE A 34 -29.540 5.558 13.258 1.00 9.37 N ATOM 487 CA PHE A 34 -29.288 4.375 14.072 1.00 9.94 C ATOM 488 C PHE A 34 -27.904 3.816 13.764 1.00 9.93 C ATOM 489 O PHE A 34 -27.434 2.875 14.408 1.00 10.33 O ATOM 490 CB PHE A 34 -30.362 3.319 13.808 1.00 9.89 C ATOM 491 CG PHE A 34 -31.759 3.824 14.057 1.00 10.10 C ATOM 492 CD1 PHE A 34 -32.455 4.494 13.065 1.00 10.53 C ATOM 493 CD2 PHE A 34 -32.375 3.617 15.281 1.00 10.09 C ATOM 494 CE1 PHE A 34 -33.739 4.948 13.287 1.00 10.95 C ATOM 495 CE2 PHE A 34 -33.659 4.070 15.510 1.00 10.50 C ATOM 496 CZ PHE A 34 -34.329 4.771 14.520 1.00 10.92 C ATOM 0 H PHE A 34 -29.892 5.359 12.322 1.00 9.37 H new ATOM 0 HA PHE A 34 -29.325 4.653 15.125 1.00 9.94 H new ATOM 0 HB2 PHE A 34 -30.283 2.979 12.775 1.00 9.89 H new ATOM 0 HB3 PHE A 34 -30.176 2.453 14.443 1.00 9.89 H new ATOM 0 HD1 PHE A 34 -31.987 4.663 12.106 1.00 10.53 H new ATOM 0 HD2 PHE A 34 -31.845 3.096 16.064 1.00 10.09 H new ATOM 0 HE1 PHE A 34 -34.282 5.442 12.495 1.00 10.95 H new ATOM 0 HE2 PHE A 34 -34.140 3.879 16.458 1.00 10.50 H new ATOM 0 HZ PHE A 34 -35.311 5.177 14.714 1.00 10.92 H new ATOM 506 N SER A 35 -27.266 4.429 12.776 1.00 9.65 N ATOM 507 CA SER A 35 -25.937 4.040 12.331 1.00 9.74 C ATOM 508 C SER A 35 -25.535 4.931 11.169 1.00 9.44 C ATOM 509 O SER A 35 -24.362 5.260 11.000 1.00 9.50 O ATOM 510 CB SER A 35 -25.912 2.571 11.892 1.00 10.04 C ATOM 511 OG SER A 35 -24.590 2.124 11.632 1.00 10.16 O ATOM 0 H SER A 35 -27.660 5.215 12.258 1.00 9.65 H new ATOM 0 HA SER A 35 -25.236 4.155 13.157 1.00 9.74 H new ATOM 0 HB2 SER A 35 -26.360 1.951 12.669 1.00 10.04 H new ATOM 0 HB3 SER A 35 -26.521 2.448 10.996 1.00 10.04 H new ATOM 0 HG SER A 35 -24.611 1.184 11.356 1.00 10.16 H new ATOM 517 N ASN A 36 -26.544 5.323 10.382 1.00 9.30 N ATOM 518 CA ASN A 36 -26.347 6.155 9.199 1.00 9.24 C ATOM 519 C ASN A 36 -25.506 5.402 8.174 1.00 8.77 C ATOM 520 O ASN A 36 -24.773 5.986 7.378 1.00 8.94 O ATOM 521 CB ASN A 36 -25.711 7.499 9.575 1.00 9.46 C ATOM 522 CG ASN A 36 -25.883 8.545 8.487 1.00 10.11 C ATOM 523 OD1 ASN A 36 -24.992 8.766 7.671 1.00 10.51 O ATOM 524 ND2 ASN A 36 -27.048 9.176 8.457 1.00 10.41 N ATOM 0 H ASN A 36 -27.518 5.070 10.551 1.00 9.30 H new ATOM 0 HA ASN A 36 -27.317 6.374 8.752 1.00 9.24 H new ATOM 0 HB2 ASN A 36 -26.158 7.864 10.500 1.00 9.46 H new ATOM 0 HB3 ASN A 36 -24.649 7.353 9.771 1.00 9.46 H new ATOM 0 HD21 ASN A 36 -27.231 9.875 7.737 1.00 10.41 H new ATOM 0 HD22 ASN A 36 -27.762 8.963 9.154 1.00 10.41 H new ATOM 531 N ASN A 37 -25.660 4.086 8.187 1.00 8.43 N ATOM 532 CA ASN A 37 -24.943 3.204 7.275 1.00 8.29 C ATOM 533 C ASN A 37 -25.760 2.971 6.012 1.00 7.88 C ATOM 534 O ASN A 37 -25.561 1.978 5.310 1.00 7.92 O ATOM 535 CB ASN A 37 -24.658 1.853 7.944 1.00 8.59 C ATOM 536 CG ASN A 37 -25.925 1.116 8.348 1.00 9.45 C ATOM 537 OD1 ASN A 37 -26.919 1.726 8.741 1.00 9.82 O ATOM 538 ND2 ASN A 37 -25.904 -0.201 8.241 1.00 10.00 N ATOM 0 H ASN A 37 -26.285 3.599 8.829 1.00 8.43 H new ATOM 0 HA ASN A 37 -23.999 3.684 7.015 1.00 8.29 H new ATOM 0 HB2 ASN A 37 -24.082 1.229 7.261 1.00 8.59 H new ATOM 0 HB3 ASN A 37 -24.039 2.013 8.827 1.00 8.59 H new ATOM 0 HD21 ASN A 37 -26.730 -0.746 8.488 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -25.062 -0.673 7.911 1.00 10.00 H new ATOM 545 N MET A 38 -26.674 3.890 5.728 1.00 7.75 N ATOM 546 CA MET A 38 -27.544 3.785 4.567 1.00 7.70 C ATOM 547 C MET A 38 -26.728 3.892 3.288 1.00 7.11 C ATOM 548 O MET A 38 -26.159 4.941 2.979 1.00 7.09 O ATOM 549 CB MET A 38 -28.626 4.866 4.615 1.00 8.48 C ATOM 550 CG MET A 38 -29.521 4.760 5.838 1.00 9.45 C ATOM 551 SD MET A 38 -30.795 6.034 5.899 1.00 10.41 S ATOM 552 CE MET A 38 -29.793 7.520 5.994 1.00 10.82 C ATOM 0 H MET A 38 -26.832 4.724 6.293 1.00 7.75 H new ATOM 0 HA MET A 38 -28.034 2.812 4.580 1.00 7.70 H new ATOM 0 HB2 MET A 38 -28.151 5.847 4.603 1.00 8.48 H new ATOM 0 HB3 MET A 38 -29.239 4.798 3.716 1.00 8.48 H new ATOM 0 HG2 MET A 38 -29.996 3.779 5.848 1.00 9.45 H new ATOM 0 HG3 MET A 38 -28.907 4.826 6.736 1.00 9.45 H new ATOM 0 HE1 MET A 38 -30.404 8.348 6.354 1.00 10.82 H new ATOM 0 HE2 MET A 38 -28.963 7.356 6.681 1.00 10.82 H new ATOM 0 HE3 MET A 38 -29.403 7.760 5.005 1.00 10.82 H new ATOM 562 N GLY A 39 -26.660 2.787 2.565 1.00 6.94 N ATOM 563 CA GLY A 39 -25.845 2.723 1.370 1.00 6.72 C ATOM 564 C GLY A 39 -24.590 1.906 1.596 1.00 6.82 C ATOM 565 O GLY A 39 -24.069 1.285 0.669 1.00 7.22 O ATOM 0 H GLY A 39 -27.159 1.925 2.786 1.00 6.94 H new ATOM 0 HA2 GLY A 39 -26.424 2.285 0.557 1.00 6.72 H new ATOM 0 HA3 GLY A 39 -25.573 3.732 1.060 1.00 6.72 H new ATOM 569 N SER A 40 -24.102 1.933 2.838 1.00 6.70 N ATOM 570 CA SER A 40 -22.949 1.141 3.274 1.00 7.03 C ATOM 571 C SER A 40 -21.637 1.640 2.672 1.00 6.75 C ATOM 572 O SER A 40 -20.563 1.249 3.128 1.00 7.15 O ATOM 573 CB SER A 40 -23.149 -0.334 2.925 1.00 7.71 C ATOM 574 OG SER A 40 -22.182 -1.159 3.555 1.00 7.71 O ATOM 0 H SER A 40 -24.500 2.512 3.578 1.00 6.70 H new ATOM 0 HA SER A 40 -22.880 1.256 4.356 1.00 7.03 H new ATOM 0 HB2 SER A 40 -24.148 -0.647 3.229 1.00 7.71 H new ATOM 0 HB3 SER A 40 -23.089 -0.463 1.844 1.00 7.71 H new ATOM 0 HG SER A 40 -21.340 -0.665 3.646 1.00 7.71 H new ATOM 580 N ARG A 41 -21.736 2.507 1.662 1.00 6.32 N ATOM 581 CA ARG A 41 -20.574 2.993 0.918 1.00 6.15 C ATOM 582 C ARG A 41 -19.918 1.865 0.124 1.00 6.66 C ATOM 583 O ARG A 41 -19.296 0.961 0.691 1.00 6.86 O ATOM 584 CB ARG A 41 -19.541 3.654 1.839 1.00 5.64 C ATOM 585 CG ARG A 41 -19.894 5.073 2.268 1.00 5.83 C ATOM 586 CD ARG A 41 -21.010 5.094 3.300 1.00 6.30 C ATOM 587 NE ARG A 41 -20.636 4.403 4.532 1.00 6.60 N ATOM 588 CZ ARG A 41 -20.857 4.882 5.758 1.00 7.29 C ATOM 589 NH1 ARG A 41 -21.389 6.090 5.916 1.00 7.72 N ATOM 590 NH2 ARG A 41 -20.535 4.154 6.817 1.00 7.82 N ATOM 0 H ARG A 41 -22.624 2.891 1.338 1.00 6.32 H new ATOM 0 HA ARG A 41 -20.939 3.749 0.222 1.00 6.15 H new ATOM 0 HB2 ARG A 41 -19.420 3.038 2.730 1.00 5.64 H new ATOM 0 HB3 ARG A 41 -18.577 3.671 1.330 1.00 5.64 H new ATOM 0 HG2 ARG A 41 -19.009 5.558 2.681 1.00 5.83 H new ATOM 0 HG3 ARG A 41 -20.196 5.651 1.395 1.00 5.83 H new ATOM 0 HD2 ARG A 41 -21.271 6.127 3.530 1.00 6.30 H new ATOM 0 HD3 ARG A 41 -21.900 4.627 2.879 1.00 6.30 H new ATOM 0 HE ARG A 41 -20.176 3.496 4.450 1.00 6.60 H new ATOM 0 HH11 ARG A 41 -21.629 6.652 5.100 1.00 7.72 H new ATOM 0 HH12 ARG A 41 -21.557 6.455 6.854 1.00 7.72 H new ATOM 0 HH21 ARG A 41 -20.120 3.231 6.694 1.00 7.82 H new ATOM 0 HH22 ARG A 41 -20.702 4.517 7.755 1.00 7.82 H new ATOM 604 N LYS A 42 -20.064 1.921 -1.190 1.00 7.18 N ATOM 605 CA LYS A 42 -19.519 0.891 -2.067 1.00 7.95 C ATOM 606 C LYS A 42 -18.017 1.090 -2.255 1.00 7.64 C ATOM 607 O LYS A 42 -17.574 1.458 -3.342 1.00 7.95 O ATOM 608 CB LYS A 42 -20.210 0.927 -3.441 1.00 8.85 C ATOM 609 CG LYS A 42 -21.626 0.359 -3.481 1.00 9.40 C ATOM 610 CD LYS A 42 -22.591 1.168 -2.628 1.00 8.95 C ATOM 611 CE LYS A 42 -24.040 0.824 -2.929 1.00 9.61 C ATOM 612 NZ LYS A 42 -24.357 -0.600 -2.650 1.00 9.98 N ATOM 0 H LYS A 42 -20.557 2.670 -1.676 1.00 7.18 H new ATOM 0 HA LYS A 42 -19.700 -0.077 -1.600 1.00 7.95 H new ATOM 0 HB2 LYS A 42 -20.242 1.961 -3.785 1.00 8.85 H new ATOM 0 HB3 LYS A 42 -19.596 0.374 -4.152 1.00 8.85 H new ATOM 0 HG2 LYS A 42 -21.980 0.342 -4.512 1.00 9.40 H new ATOM 0 HG3 LYS A 42 -21.612 -0.673 -3.132 1.00 9.40 H new ATOM 0 HD2 LYS A 42 -22.386 0.983 -1.574 1.00 8.95 H new ATOM 0 HD3 LYS A 42 -22.427 2.231 -2.803 1.00 8.95 H new ATOM 0 HE2 LYS A 42 -24.693 1.462 -2.333 1.00 9.61 H new ATOM 0 HE3 LYS A 42 -24.252 1.041 -3.976 1.00 9.61 H new ATOM 0 HZ1 LYS A 42 -25.368 -0.771 -2.823 1.00 9.98 H new ATOM 0 HZ2 LYS A 42 -23.791 -1.210 -3.274 1.00 9.98 H new ATOM 0 HZ3 LYS A 42 -24.134 -0.817 -1.658 1.00 9.98 H new ATOM 626 N ASN A 43 -17.253 0.851 -1.188 1.00 7.18 N ATOM 627 CA ASN A 43 -15.798 1.046 -1.186 1.00 6.90 C ATOM 628 C ASN A 43 -15.432 2.453 -1.640 1.00 6.59 C ATOM 629 O ASN A 43 -15.124 2.699 -2.808 1.00 7.32 O ATOM 630 CB ASN A 43 -15.080 -0.010 -2.035 1.00 7.86 C ATOM 631 CG ASN A 43 -14.877 -1.316 -1.283 1.00 7.89 C ATOM 632 OD1 ASN A 43 -13.847 -1.522 -0.642 1.00 7.84 O ATOM 633 ND2 ASN A 43 -15.854 -2.203 -1.351 1.00 8.26 N ATOM 0 H ASN A 43 -17.624 0.516 -0.299 1.00 7.18 H new ATOM 0 HA ASN A 43 -15.457 0.923 -0.158 1.00 6.90 H new ATOM 0 HB2 ASN A 43 -15.658 -0.200 -2.939 1.00 7.86 H new ATOM 0 HB3 ASN A 43 -14.112 0.378 -2.351 1.00 7.86 H new ATOM 0 HD21 ASN A 43 -15.769 -3.094 -0.862 1.00 8.26 H new ATOM 0 HD22 ASN A 43 -16.693 -1.997 -1.893 1.00 8.26 H new ATOM 640 N PRO A 44 -15.474 3.401 -0.700 1.00 5.79 N ATOM 641 CA PRO A 44 -15.205 4.801 -0.981 1.00 5.83 C ATOM 642 C PRO A 44 -13.719 5.131 -0.880 1.00 5.83 C ATOM 643 O PRO A 44 -12.867 4.340 -1.287 1.00 6.26 O ATOM 644 CB PRO A 44 -16.000 5.497 0.117 1.00 5.35 C ATOM 645 CG PRO A 44 -15.897 4.579 1.289 1.00 4.82 C ATOM 646 CD PRO A 44 -15.786 3.182 0.727 1.00 5.18 C ATOM 0 HA PRO A 44 -15.481 5.101 -1.992 1.00 5.83 H new ATOM 0 HB2 PRO A 44 -15.587 6.480 0.345 1.00 5.35 H new ATOM 0 HB3 PRO A 44 -17.038 5.648 -0.179 1.00 5.35 H new ATOM 0 HG2 PRO A 44 -15.027 4.823 1.898 1.00 4.82 H new ATOM 0 HG3 PRO A 44 -16.772 4.671 1.932 1.00 4.82 H new ATOM 0 HD2 PRO A 44 -15.002 2.611 1.225 1.00 5.18 H new ATOM 0 HD3 PRO A 44 -16.715 2.625 0.853 1.00 5.18 H new ATOM 654 N ASP A 45 -13.406 6.290 -0.326 1.00 5.59 N ATOM 655 CA ASP A 45 -12.022 6.737 -0.225 1.00 5.67 C ATOM 656 C ASP A 45 -11.579 6.860 1.234 1.00 5.46 C ATOM 657 O ASP A 45 -11.598 7.951 1.804 1.00 5.44 O ATOM 658 CB ASP A 45 -11.832 8.084 -0.933 1.00 6.26 C ATOM 659 CG ASP A 45 -12.069 8.019 -2.428 1.00 6.73 C ATOM 660 OD1 ASP A 45 -13.244 8.099 -2.854 1.00 6.98 O ATOM 661 OD2 ASP A 45 -11.086 7.923 -3.188 1.00 7.06 O ATOM 0 H ASP A 45 -14.090 6.940 0.062 1.00 5.59 H new ATOM 0 HA ASP A 45 -11.403 5.984 -0.713 1.00 5.67 H new ATOM 0 HB2 ASP A 45 -12.513 8.814 -0.496 1.00 6.26 H new ATOM 0 HB3 ASP A 45 -10.819 8.443 -0.749 1.00 6.26 H new ATOM 666 N PRO A 46 -11.215 5.737 1.874 1.00 5.77 N ATOM 667 CA PRO A 46 -10.659 5.733 3.214 1.00 6.07 C ATOM 668 C PRO A 46 -9.135 5.713 3.194 1.00 6.28 C ATOM 669 O PRO A 46 -8.487 5.845 4.230 1.00 6.83 O ATOM 670 CB PRO A 46 -11.204 4.428 3.810 1.00 6.80 C ATOM 671 CG PRO A 46 -11.665 3.593 2.647 1.00 6.93 C ATOM 672 CD PRO A 46 -11.368 4.367 1.386 1.00 6.33 C ATOM 0 HA PRO A 46 -10.930 6.623 3.781 1.00 6.07 H new ATOM 0 HB2 PRO A 46 -10.433 3.909 4.380 1.00 6.80 H new ATOM 0 HB3 PRO A 46 -12.027 4.628 4.496 1.00 6.80 H new ATOM 0 HG2 PRO A 46 -11.150 2.632 2.637 1.00 6.93 H new ATOM 0 HG3 PRO A 46 -12.732 3.382 2.725 1.00 6.93 H new ATOM 0 HD2 PRO A 46 -10.463 4.009 0.896 1.00 6.33 H new ATOM 0 HD3 PRO A 46 -12.177 4.284 0.661 1.00 6.33 H new ATOM 680 N LEU A 47 -8.572 5.539 2.007 1.00 6.19 N ATOM 681 CA LEU A 47 -7.127 5.446 1.854 1.00 6.74 C ATOM 682 C LEU A 47 -6.556 6.742 1.287 1.00 6.79 C ATOM 683 O LEU A 47 -5.603 7.298 1.832 1.00 7.54 O ATOM 684 CB LEU A 47 -6.767 4.275 0.935 1.00 7.04 C ATOM 685 CG LEU A 47 -7.233 2.895 1.411 1.00 7.00 C ATOM 686 CD1 LEU A 47 -6.876 1.825 0.388 1.00 6.92 C ATOM 687 CD2 LEU A 47 -6.624 2.559 2.764 1.00 7.53 C ATOM 0 H LEU A 47 -9.095 5.459 1.135 1.00 6.19 H new ATOM 0 HA LEU A 47 -6.692 5.277 2.839 1.00 6.74 H new ATOM 0 HB2 LEU A 47 -7.195 4.464 -0.050 1.00 7.04 H new ATOM 0 HB3 LEU A 47 -5.684 4.251 0.813 1.00 7.04 H new ATOM 0 HG LEU A 47 -8.317 2.922 1.518 1.00 7.00 H new ATOM 0 HD11 LEU A 47 -7.215 0.853 0.745 1.00 6.92 H new ATOM 0 HD12 LEU A 47 -7.361 2.053 -0.561 1.00 6.92 H new ATOM 0 HD13 LEU A 47 -5.795 1.803 0.247 1.00 6.92 H new ATOM 0 HD21 LEU A 47 -6.968 1.575 3.084 1.00 7.53 H new ATOM 0 HD22 LEU A 47 -5.537 2.555 2.683 1.00 7.53 H new ATOM 0 HD23 LEU A 47 -6.930 3.306 3.496 1.00 7.53 H new ATOM 699 N ALA A 48 -7.133 7.194 0.167 1.00 6.28 N ATOM 700 CA ALA A 48 -6.736 8.445 -0.483 1.00 6.64 C ATOM 701 C ALA A 48 -5.287 8.386 -0.954 1.00 6.21 C ATOM 702 O ALA A 48 -4.632 9.414 -1.138 1.00 6.37 O ATOM 703 CB ALA A 48 -6.947 9.622 0.456 1.00 7.26 C ATOM 0 H ALA A 48 -7.887 6.702 -0.312 1.00 6.28 H new ATOM 0 HA ALA A 48 -7.367 8.584 -1.361 1.00 6.64 H new ATOM 0 HB1 ALA A 48 -6.647 10.544 -0.043 1.00 7.26 H new ATOM 0 HB2 ALA A 48 -8.000 9.684 0.731 1.00 7.26 H new ATOM 0 HB3 ALA A 48 -6.345 9.483 1.354 1.00 7.26 H new ATOM 709 N THR A 49 -4.807 7.174 -1.172 1.00 5.97 N ATOM 710 CA THR A 49 -3.428 6.953 -1.569 1.00 5.78 C ATOM 711 C THR A 49 -3.336 6.209 -2.898 1.00 5.51 C ATOM 712 O THR A 49 -2.791 6.736 -3.865 1.00 5.78 O ATOM 713 CB THR A 49 -2.670 6.166 -0.488 1.00 5.98 C ATOM 714 OG1 THR A 49 -3.593 5.340 0.240 1.00 6.42 O ATOM 715 CG2 THR A 49 -1.949 7.105 0.466 1.00 6.50 C ATOM 0 H THR A 49 -5.358 6.321 -1.080 1.00 5.97 H new ATOM 0 HA THR A 49 -2.969 7.934 -1.691 1.00 5.78 H new ATOM 0 HB THR A 49 -1.923 5.539 -0.975 1.00 5.98 H new ATOM 0 HG1 THR A 49 -3.109 4.837 0.928 1.00 6.42 H new ATOM 0 HG21 THR A 49 -1.421 6.522 1.221 1.00 6.50 H new ATOM 0 HG22 THR A 49 -1.234 7.711 -0.091 1.00 6.50 H new ATOM 0 HG23 THR A 49 -2.675 7.756 0.953 1.00 6.50 H new ATOM 723 N GLU A 50 -3.863 4.978 -2.926 1.00 5.40 N ATOM 724 CA GLU A 50 -3.865 4.129 -4.130 1.00 5.68 C ATOM 725 C GLU A 50 -2.476 3.571 -4.441 1.00 5.52 C ATOM 726 O GLU A 50 -2.307 2.357 -4.567 1.00 5.73 O ATOM 727 CB GLU A 50 -4.427 4.874 -5.349 1.00 6.30 C ATOM 728 CG GLU A 50 -5.828 4.424 -5.738 1.00 7.02 C ATOM 729 CD GLU A 50 -5.862 2.966 -6.159 1.00 8.02 C ATOM 730 OE1 GLU A 50 -6.006 2.090 -5.282 1.00 8.40 O ATOM 731 OE2 GLU A 50 -5.761 2.694 -7.371 1.00 8.59 O ATOM 0 H GLU A 50 -4.301 4.540 -2.115 1.00 5.40 H new ATOM 0 HA GLU A 50 -4.522 3.287 -3.912 1.00 5.68 H new ATOM 0 HB2 GLU A 50 -4.442 5.943 -5.137 1.00 6.30 H new ATOM 0 HB3 GLU A 50 -3.757 4.727 -6.196 1.00 6.30 H new ATOM 0 HG2 GLU A 50 -6.504 4.574 -4.896 1.00 7.02 H new ATOM 0 HG3 GLU A 50 -6.194 5.046 -6.555 1.00 7.02 H new ATOM 738 N GLU A 51 -1.493 4.452 -4.564 1.00 5.43 N ATOM 739 CA GLU A 51 -0.125 4.047 -4.863 1.00 5.45 C ATOM 740 C GLU A 51 0.405 3.064 -3.822 1.00 5.48 C ATOM 741 O GLU A 51 0.852 1.972 -4.173 1.00 5.85 O ATOM 742 CB GLU A 51 0.782 5.280 -4.951 1.00 5.47 C ATOM 743 CG GLU A 51 0.577 6.283 -3.822 1.00 6.03 C ATOM 744 CD GLU A 51 1.537 7.453 -3.899 1.00 6.79 C ATOM 745 OE1 GLU A 51 1.395 8.278 -4.825 1.00 6.93 O ATOM 746 OE2 GLU A 51 2.433 7.545 -3.037 1.00 7.46 O ATOM 0 H GLU A 51 -1.618 5.459 -4.461 1.00 5.43 H new ATOM 0 HA GLU A 51 -0.125 3.538 -5.827 1.00 5.45 H new ATOM 0 HB2 GLU A 51 1.822 4.954 -4.949 1.00 5.47 H new ATOM 0 HB3 GLU A 51 0.607 5.780 -5.904 1.00 5.47 H new ATOM 0 HG2 GLU A 51 -0.447 6.655 -3.854 1.00 6.03 H new ATOM 0 HG3 GLU A 51 0.703 5.777 -2.865 1.00 6.03 H new ATOM 753 N VAL A 52 0.310 3.460 -2.545 1.00 5.42 N ATOM 754 CA VAL A 52 0.811 2.675 -1.403 1.00 5.86 C ATOM 755 C VAL A 52 2.071 1.869 -1.740 1.00 6.11 C ATOM 756 O VAL A 52 2.067 0.637 -1.683 1.00 6.55 O ATOM 757 CB VAL A 52 -0.279 1.748 -0.792 1.00 6.43 C ATOM 758 CG1 VAL A 52 -1.351 2.580 -0.111 1.00 6.99 C ATOM 759 CG2 VAL A 52 -0.916 0.847 -1.844 1.00 6.80 C ATOM 0 H VAL A 52 -0.121 4.343 -2.271 1.00 5.42 H new ATOM 0 HA VAL A 52 1.085 3.413 -0.649 1.00 5.86 H new ATOM 0 HB VAL A 52 0.211 1.108 -0.058 1.00 6.43 H new ATOM 0 HG11 VAL A 52 -2.109 1.921 0.313 1.00 6.99 H new ATOM 0 HG12 VAL A 52 -0.900 3.174 0.684 1.00 6.99 H new ATOM 0 HG13 VAL A 52 -1.815 3.244 -0.841 1.00 6.99 H new ATOM 0 HG21 VAL A 52 -1.671 0.217 -1.374 1.00 6.80 H new ATOM 0 HG22 VAL A 52 -1.384 1.461 -2.614 1.00 6.80 H new ATOM 0 HG23 VAL A 52 -0.149 0.218 -2.297 1.00 6.80 H new ATOM 769 N PRO A 53 3.175 2.552 -2.094 1.00 6.09 N ATOM 770 CA PRO A 53 4.423 1.891 -2.469 1.00 6.51 C ATOM 771 C PRO A 53 5.113 1.255 -1.266 1.00 6.99 C ATOM 772 O PRO A 53 5.358 0.048 -1.239 1.00 7.85 O ATOM 773 CB PRO A 53 5.290 3.029 -3.044 1.00 6.60 C ATOM 774 CG PRO A 53 4.384 4.210 -3.171 1.00 6.37 C ATOM 775 CD PRO A 53 3.303 4.016 -2.155 1.00 6.00 C ATOM 0 HA PRO A 53 4.254 1.078 -3.175 1.00 6.51 H new ATOM 0 HB2 PRO A 53 6.130 3.250 -2.386 1.00 6.60 H new ATOM 0 HB3 PRO A 53 5.707 2.751 -4.012 1.00 6.60 H new ATOM 0 HG2 PRO A 53 4.926 5.138 -2.990 1.00 6.37 H new ATOM 0 HG3 PRO A 53 3.967 4.275 -4.176 1.00 6.37 H new ATOM 0 HD2 PRO A 53 3.575 4.439 -1.188 1.00 6.00 H new ATOM 0 HD3 PRO A 53 2.371 4.492 -2.460 1.00 6.00 H new ATOM 783 N ASN A 54 5.415 2.072 -0.266 1.00 6.65 N ATOM 784 CA ASN A 54 6.132 1.602 0.915 1.00 7.32 C ATOM 785 C ASN A 54 5.381 1.945 2.186 1.00 7.87 C ATOM 786 O ASN A 54 5.777 1.535 3.274 1.00 8.62 O ATOM 787 CB ASN A 54 7.532 2.218 0.973 1.00 7.53 C ATOM 788 CG ASN A 54 8.455 1.715 -0.121 1.00 7.80 C ATOM 789 OD1 ASN A 54 8.455 2.232 -1.239 1.00 7.76 O ATOM 790 ND2 ASN A 54 9.277 0.734 0.204 1.00 8.37 N ATOM 0 H ASN A 54 5.175 3.063 -0.248 1.00 6.65 H new ATOM 0 HA ASN A 54 6.214 0.518 0.838 1.00 7.32 H new ATOM 0 HB2 ASN A 54 7.448 3.302 0.898 1.00 7.53 H new ATOM 0 HB3 ASN A 54 7.978 2.000 1.944 1.00 7.53 H new ATOM 0 HD21 ASN A 54 9.943 0.378 -0.482 1.00 8.37 H new ATOM 0 HD22 ASN A 54 9.246 0.332 1.141 1.00 8.37 H new ATOM 797 N GLN A 55 4.298 2.705 2.032 1.00 7.71 N ATOM 798 CA GLN A 55 3.535 3.260 3.167 1.00 8.46 C ATOM 799 C GLN A 55 4.324 4.360 3.880 1.00 8.71 C ATOM 800 O GLN A 55 3.758 5.351 4.339 1.00 9.31 O ATOM 801 CB GLN A 55 3.142 2.164 4.162 1.00 9.37 C ATOM 802 CG GLN A 55 2.037 1.245 3.677 1.00 9.49 C ATOM 803 CD GLN A 55 1.946 -0.026 4.501 1.00 9.90 C ATOM 804 OE1 GLN A 55 3.090 -0.514 4.961 1.00 10.49 O flip ATOM 805 NE2 GLN A 55 0.861 -0.572 4.710 1.00 9.79 N flip ATOM 0 H GLN A 55 3.918 2.958 1.120 1.00 7.71 H new ATOM 0 HA GLN A 55 2.624 3.698 2.760 1.00 8.46 H new ATOM 0 HB2 GLN A 55 4.023 1.564 4.390 1.00 9.37 H new ATOM 0 HB3 GLN A 55 2.826 2.633 5.094 1.00 9.37 H new ATOM 0 HG2 GLN A 55 1.084 1.772 3.719 1.00 9.49 H new ATOM 0 HG3 GLN A 55 2.213 0.987 2.633 1.00 9.49 H new ATOM 0 HE21 GLN A 55 0.004 -0.163 4.338 1.00 9.79 H new ATOM 0 HE22 GLN A 55 0.820 -1.433 5.255 1.00 9.79 H new ATOM 814 N GLU A 56 5.634 4.181 3.955 1.00 8.44 N ATOM 815 CA GLU A 56 6.534 5.169 4.527 1.00 8.86 C ATOM 816 C GLU A 56 6.778 6.304 3.534 1.00 8.25 C ATOM 817 O GLU A 56 7.651 7.143 3.753 1.00 8.21 O ATOM 818 CB GLU A 56 7.867 4.500 4.854 1.00 9.28 C ATOM 819 CG GLU A 56 7.745 3.264 5.733 1.00 10.30 C ATOM 820 CD GLU A 56 8.989 2.398 5.671 1.00 10.82 C ATOM 821 OE1 GLU A 56 10.077 2.882 6.048 1.00 11.15 O ATOM 822 OE2 GLU A 56 8.885 1.230 5.234 1.00 11.07 O ATOM 0 H GLU A 56 6.105 3.341 3.619 1.00 8.44 H new ATOM 0 HA GLU A 56 6.083 5.578 5.431 1.00 8.86 H new ATOM 0 HB2 GLU A 56 8.360 4.222 3.922 1.00 9.28 H new ATOM 0 HB3 GLU A 56 8.512 5.224 5.352 1.00 9.28 H new ATOM 0 HG2 GLU A 56 7.566 3.569 6.764 1.00 10.30 H new ATOM 0 HG3 GLU A 56 6.880 2.680 5.419 1.00 10.30 H new ATOM 829 N GLN A 57 6.001 6.306 2.444 1.00 8.02 N ATOM 830 CA GLN A 57 6.178 7.233 1.326 1.00 7.71 C ATOM 831 C GLN A 57 7.442 6.890 0.541 1.00 6.84 C ATOM 832 O GLN A 57 7.359 6.394 -0.578 1.00 6.77 O ATOM 833 CB GLN A 57 6.216 8.695 1.796 1.00 8.64 C ATOM 834 CG GLN A 57 4.963 9.141 2.543 1.00 9.62 C ATOM 835 CD GLN A 57 3.697 9.000 1.716 1.00 10.46 C ATOM 836 OE1 GLN A 57 3.727 9.080 0.486 1.00 10.72 O ATOM 837 NE2 GLN A 57 2.572 8.783 2.384 1.00 11.09 N ATOM 0 H GLN A 57 5.225 5.657 2.315 1.00 8.02 H new ATOM 0 HA GLN A 57 5.315 7.123 0.670 1.00 7.71 H new ATOM 0 HB2 GLN A 57 7.081 8.835 2.444 1.00 8.64 H new ATOM 0 HB3 GLN A 57 6.359 9.341 0.929 1.00 8.64 H new ATOM 0 HG2 GLN A 57 4.862 8.553 3.455 1.00 9.62 H new ATOM 0 HG3 GLN A 57 5.078 10.182 2.846 1.00 9.62 H new ATOM 0 HE21 GLN A 57 2.587 8.723 3.402 1.00 11.09 H new ATOM 0 HE22 GLN A 57 1.692 8.676 1.880 1.00 11.09 H new ATOM 846 N ILE A 58 8.596 7.118 1.162 1.00 6.43 N ATOM 847 CA ILE A 58 9.892 6.883 0.536 1.00 5.79 C ATOM 848 C ILE A 58 10.010 7.643 -0.787 1.00 5.74 C ATOM 849 O ILE A 58 9.798 7.089 -1.867 1.00 5.48 O ATOM 850 CB ILE A 58 10.170 5.373 0.314 1.00 5.36 C ATOM 851 CG1 ILE A 58 10.034 4.599 1.634 1.00 5.76 C ATOM 852 CG2 ILE A 58 11.563 5.163 -0.270 1.00 5.36 C ATOM 853 CD1 ILE A 58 11.029 5.002 2.700 1.00 6.29 C ATOM 0 H ILE A 58 8.658 7.472 2.117 1.00 6.43 H new ATOM 0 HA ILE A 58 10.647 7.260 1.226 1.00 5.79 H new ATOM 0 HB ILE A 58 9.432 4.994 -0.393 1.00 5.36 H new ATOM 0 HG12 ILE A 58 9.026 4.742 2.023 1.00 5.76 H new ATOM 0 HG13 ILE A 58 10.149 3.534 1.430 1.00 5.76 H new ATOM 0 HG21 ILE A 58 11.739 4.097 -0.418 1.00 5.36 H new ATOM 0 HG22 ILE A 58 11.638 5.680 -1.227 1.00 5.36 H new ATOM 0 HG23 ILE A 58 12.309 5.562 0.417 1.00 5.36 H new ATOM 0 HD11 ILE A 58 10.862 4.406 3.597 1.00 6.29 H new ATOM 0 HD12 ILE A 58 12.042 4.832 2.335 1.00 6.29 H new ATOM 0 HD13 ILE A 58 10.901 6.058 2.937 1.00 6.29 H new ATOM 865 N PRO A 59 10.335 8.943 -0.711 1.00 6.40 N ATOM 866 CA PRO A 59 10.494 9.799 -1.887 1.00 6.85 C ATOM 867 C PRO A 59 11.873 9.651 -2.520 1.00 6.63 C ATOM 868 O PRO A 59 12.315 10.516 -3.278 1.00 7.28 O ATOM 869 CB PRO A 59 10.317 11.220 -1.329 1.00 7.95 C ATOM 870 CG PRO A 59 10.078 11.073 0.143 1.00 8.02 C ATOM 871 CD PRO A 59 10.545 9.699 0.526 1.00 7.12 C ATOM 0 HA PRO A 59 9.782 9.545 -2.673 1.00 6.85 H new ATOM 0 HB2 PRO A 59 11.204 11.825 -1.519 1.00 7.95 H new ATOM 0 HB3 PRO A 59 9.478 11.724 -1.810 1.00 7.95 H new ATOM 0 HG2 PRO A 59 10.622 11.835 0.701 1.00 8.02 H new ATOM 0 HG3 PRO A 59 9.021 11.201 0.377 1.00 8.02 H new ATOM 0 HD2 PRO A 59 11.591 9.696 0.832 1.00 7.12 H new ATOM 0 HD3 PRO A 59 9.969 9.290 1.356 1.00 7.12 H new ATOM 879 N GLU A 60 12.541 8.548 -2.189 1.00 5.93 N ATOM 880 CA GLU A 60 13.897 8.258 -2.661 1.00 5.88 C ATOM 881 C GLU A 60 14.909 9.252 -2.087 1.00 5.80 C ATOM 882 O GLU A 60 16.092 9.197 -2.426 1.00 5.92 O ATOM 883 CB GLU A 60 13.968 8.275 -4.196 1.00 5.78 C ATOM 884 CG GLU A 60 12.950 7.375 -4.888 1.00 5.71 C ATOM 885 CD GLU A 60 13.149 5.902 -4.591 1.00 6.20 C ATOM 886 OE1 GLU A 60 14.051 5.286 -5.198 1.00 6.61 O ATOM 887 OE2 GLU A 60 12.377 5.345 -3.780 1.00 6.44 O ATOM 0 H GLU A 60 12.156 7.824 -1.582 1.00 5.93 H new ATOM 0 HA GLU A 60 14.151 7.258 -2.310 1.00 5.88 H new ATOM 0 HB2 GLU A 60 13.823 9.298 -4.542 1.00 5.78 H new ATOM 0 HB3 GLU A 60 14.969 7.973 -4.504 1.00 5.78 H new ATOM 0 HG2 GLU A 60 11.947 7.668 -4.578 1.00 5.71 H new ATOM 0 HG3 GLU A 60 13.010 7.532 -5.965 1.00 5.71 H new ATOM 894 N GLU A 61 14.433 10.149 -1.209 1.00 5.98 N ATOM 895 CA GLU A 61 15.246 11.234 -0.642 1.00 6.40 C ATOM 896 C GLU A 61 15.648 12.244 -1.722 1.00 6.67 C ATOM 897 O GLU A 61 15.205 13.391 -1.699 1.00 7.45 O ATOM 898 CB GLU A 61 16.488 10.688 0.071 1.00 6.95 C ATOM 899 CG GLU A 61 16.170 9.811 1.274 1.00 7.52 C ATOM 900 CD GLU A 61 15.527 10.579 2.414 1.00 8.17 C ATOM 901 OE1 GLU A 61 16.266 11.091 3.281 1.00 8.72 O ATOM 902 OE2 GLU A 61 14.279 10.663 2.459 1.00 8.32 O ATOM 0 H GLU A 61 13.470 10.141 -0.872 1.00 5.98 H new ATOM 0 HA GLU A 61 14.632 11.749 0.097 1.00 6.40 H new ATOM 0 HB2 GLU A 61 17.080 10.112 -0.640 1.00 6.95 H new ATOM 0 HB3 GLU A 61 17.106 11.525 0.396 1.00 6.95 H new ATOM 0 HG2 GLU A 61 15.504 9.006 0.964 1.00 7.52 H new ATOM 0 HG3 GLU A 61 17.089 9.345 1.630 1.00 7.52 H new ATOM 909 N GLY A 62 16.483 11.808 -2.658 1.00 6.22 N ATOM 910 CA GLY A 62 16.912 12.669 -3.749 1.00 6.69 C ATOM 911 C GLY A 62 18.421 12.715 -3.879 1.00 6.92 C ATOM 912 O GLY A 62 18.957 13.014 -4.942 1.00 7.40 O ATOM 0 H GLY A 62 16.874 10.866 -2.682 1.00 6.22 H new ATOM 0 HA2 GLY A 62 16.479 12.312 -4.683 1.00 6.69 H new ATOM 0 HA3 GLY A 62 16.532 13.677 -3.586 1.00 6.69 H new ATOM 916 N PHE A 63 19.101 12.385 -2.796 1.00 6.81 N ATOM 917 CA PHE A 63 20.551 12.491 -2.732 1.00 7.27 C ATOM 918 C PHE A 63 21.160 11.219 -2.157 1.00 6.90 C ATOM 919 O PHE A 63 21.845 11.244 -1.131 1.00 7.34 O ATOM 920 CB PHE A 63 20.948 13.711 -1.895 1.00 8.02 C ATOM 921 CG PHE A 63 19.970 14.015 -0.793 1.00 7.85 C ATOM 922 CD1 PHE A 63 20.041 13.334 0.412 1.00 8.09 C ATOM 923 CD2 PHE A 63 18.996 14.991 -0.952 1.00 7.70 C ATOM 924 CE1 PHE A 63 19.156 13.618 1.435 1.00 8.21 C ATOM 925 CE2 PHE A 63 18.114 15.280 0.070 1.00 7.74 C ATOM 926 CZ PHE A 63 18.132 14.561 1.220 1.00 8.00 C ATOM 0 H PHE A 63 18.669 12.038 -1.940 1.00 6.81 H new ATOM 0 HA PHE A 63 20.938 12.619 -3.743 1.00 7.27 H new ATOM 0 HB2 PHE A 63 21.933 13.541 -1.461 1.00 8.02 H new ATOM 0 HB3 PHE A 63 21.032 14.580 -2.548 1.00 8.02 H new ATOM 0 HD1 PHE A 63 20.795 12.574 0.553 1.00 8.09 H new ATOM 0 HD2 PHE A 63 18.927 15.530 -1.885 1.00 7.70 H new ATOM 0 HE1 PHE A 63 19.249 13.122 2.390 1.00 8.21 H new ATOM 0 HE2 PHE A 63 17.404 16.085 -0.047 1.00 7.74 H new ATOM 0 HZ PHE A 63 17.366 14.711 1.966 1.00 8.00 H new ATOM 936 N ILE A 64 20.899 10.107 -2.818 1.00 6.31 N ATOM 937 CA ILE A 64 21.409 8.818 -2.371 1.00 6.14 C ATOM 938 C ILE A 64 22.901 8.705 -2.663 1.00 6.65 C ATOM 939 O ILE A 64 23.307 8.469 -3.800 1.00 6.98 O ATOM 940 CB ILE A 64 20.666 7.646 -3.045 1.00 5.61 C ATOM 941 CG1 ILE A 64 19.153 7.801 -2.868 1.00 5.10 C ATOM 942 CG2 ILE A 64 21.131 6.315 -2.460 1.00 5.86 C ATOM 943 CD1 ILE A 64 18.342 6.769 -3.627 1.00 5.02 C ATOM 0 H ILE A 64 20.336 10.067 -3.668 1.00 6.31 H new ATOM 0 HA ILE A 64 21.240 8.759 -1.296 1.00 6.14 H new ATOM 0 HB ILE A 64 20.896 7.659 -4.110 1.00 5.61 H new ATOM 0 HG12 ILE A 64 18.911 7.732 -1.807 1.00 5.10 H new ATOM 0 HG13 ILE A 64 18.858 8.797 -3.198 1.00 5.10 H new ATOM 0 HG21 ILE A 64 20.598 5.498 -2.946 1.00 5.86 H new ATOM 0 HG22 ILE A 64 22.202 6.199 -2.626 1.00 5.86 H new ATOM 0 HG23 ILE A 64 20.926 6.297 -1.390 1.00 5.86 H new ATOM 0 HD11 ILE A 64 17.280 6.942 -3.454 1.00 5.02 H new ATOM 0 HD12 ILE A 64 18.554 6.852 -4.693 1.00 5.02 H new ATOM 0 HD13 ILE A 64 18.608 5.770 -3.281 1.00 5.02 H new ATOM 955 N HIS A 65 23.719 8.891 -1.637 1.00 6.99 N ATOM 956 CA HIS A 65 25.163 8.806 -1.795 1.00 7.71 C ATOM 957 C HIS A 65 25.585 7.348 -1.933 1.00 7.41 C ATOM 958 O HIS A 65 25.535 6.584 -0.973 1.00 7.99 O ATOM 959 CB HIS A 65 25.888 9.444 -0.606 1.00 8.57 C ATOM 960 CG HIS A 65 25.578 10.899 -0.385 1.00 9.17 C ATOM 961 ND1 HIS A 65 25.762 11.866 -1.347 1.00 9.64 N ATOM 962 CD2 HIS A 65 25.106 11.549 0.708 1.00 9.60 C ATOM 963 CE1 HIS A 65 25.419 13.044 -0.857 1.00 10.31 C ATOM 964 NE2 HIS A 65 25.019 12.882 0.388 1.00 10.28 N ATOM 0 H HIS A 65 23.408 9.101 -0.689 1.00 6.99 H new ATOM 0 HA HIS A 65 25.438 9.353 -2.697 1.00 7.71 H new ATOM 0 HB2 HIS A 65 25.631 8.891 0.297 1.00 8.57 H new ATOM 0 HB3 HIS A 65 26.963 9.334 -0.752 1.00 8.57 H new ATOM 0 HD2 HIS A 65 24.846 11.101 1.656 1.00 9.60 H new ATOM 0 HE1 HIS A 65 25.460 13.983 -1.388 1.00 10.31 H new ATOM 0 HE2 HIS A 65 24.698 13.623 1.011 1.00 10.28 H new ATOM 973 N THR A 66 25.977 6.972 -3.132 1.00 6.67 N ATOM 974 CA THR A 66 26.398 5.604 -3.417 1.00 6.47 C ATOM 975 C THR A 66 27.014 5.530 -4.811 1.00 6.60 C ATOM 976 O THR A 66 27.912 4.727 -5.059 1.00 6.62 O ATOM 977 CB THR A 66 25.228 4.590 -3.286 1.00 6.64 C ATOM 978 OG1 THR A 66 25.683 3.249 -3.549 1.00 7.18 O ATOM 979 CG2 THR A 66 24.081 4.939 -4.229 1.00 6.82 C ATOM 0 H THR A 66 26.015 7.597 -3.937 1.00 6.67 H new ATOM 0 HA THR A 66 27.146 5.327 -2.674 1.00 6.47 H new ATOM 0 HB THR A 66 24.861 4.647 -2.261 1.00 6.64 H new ATOM 0 HG1 THR A 66 24.932 2.625 -3.460 1.00 7.18 H new ATOM 0 HG21 THR A 66 23.279 4.210 -4.112 1.00 6.82 H new ATOM 0 HG22 THR A 66 23.704 5.934 -3.991 1.00 6.82 H new ATOM 0 HG23 THR A 66 24.439 4.923 -5.259 1.00 6.82 H new ATOM 987 N GLN A 67 26.550 6.401 -5.708 1.00 6.89 N ATOM 988 CA GLN A 67 27.140 6.516 -7.037 1.00 7.37 C ATOM 989 C GLN A 67 28.611 6.922 -6.920 1.00 7.24 C ATOM 990 O GLN A 67 29.432 6.619 -7.784 1.00 7.66 O ATOM 991 CB GLN A 67 26.370 7.549 -7.871 1.00 8.01 C ATOM 992 CG GLN A 67 26.894 7.701 -9.289 1.00 8.35 C ATOM 993 CD GLN A 67 26.777 6.426 -10.103 1.00 9.02 C ATOM 994 OE1 GLN A 67 25.713 5.668 -9.879 1.00 9.58 O flip ATOM 995 NE2 GLN A 67 27.613 6.149 -10.957 1.00 9.24 N flip ATOM 0 H GLN A 67 25.769 7.035 -5.537 1.00 6.89 H new ATOM 0 HA GLN A 67 27.078 5.549 -7.537 1.00 7.37 H new ATOM 0 HB2 GLN A 67 25.319 7.261 -7.910 1.00 8.01 H new ATOM 0 HB3 GLN A 67 26.417 8.516 -7.370 1.00 8.01 H new ATOM 0 HG2 GLN A 67 26.344 8.498 -9.790 1.00 8.35 H new ATOM 0 HG3 GLN A 67 27.939 8.008 -9.253 1.00 8.35 H new ATOM 0 HE21 GLN A 67 28.418 6.759 -11.099 1.00 9.24 H new ATOM 0 HE22 GLN A 67 27.503 5.309 -11.525 1.00 9.24 H new ATOM 1004 N TYR A 68 28.936 7.595 -5.825 1.00 6.89 N ATOM 1005 CA TYR A 68 30.299 8.023 -5.555 1.00 7.01 C ATOM 1006 C TYR A 68 30.719 7.548 -4.167 1.00 6.55 C ATOM 1007 O TYR A 68 31.673 8.054 -3.573 1.00 6.81 O ATOM 1008 CB TYR A 68 30.393 9.548 -5.638 1.00 7.18 C ATOM 1009 CG TYR A 68 29.973 10.117 -6.980 1.00 7.77 C ATOM 1010 CD1 TYR A 68 30.828 10.063 -8.077 1.00 8.20 C ATOM 1011 CD2 TYR A 68 28.728 10.716 -7.149 1.00 8.17 C ATOM 1012 CE1 TYR A 68 30.451 10.581 -9.302 1.00 8.96 C ATOM 1013 CE2 TYR A 68 28.345 11.236 -8.373 1.00 8.94 C ATOM 1014 CZ TYR A 68 29.211 11.169 -9.444 1.00 9.31 C ATOM 1015 OH TYR A 68 28.832 11.687 -10.660 1.00 10.22 O ATOM 0 H TYR A 68 28.265 7.858 -5.103 1.00 6.89 H new ATOM 0 HA TYR A 68 30.967 7.589 -6.299 1.00 7.01 H new ATOM 0 HB2 TYR A 68 29.769 9.984 -4.858 1.00 7.18 H new ATOM 0 HB3 TYR A 68 31.419 9.851 -5.431 1.00 7.18 H new ATOM 0 HD1 TYR A 68 31.802 9.609 -7.969 1.00 8.20 H new ATOM 0 HD2 TYR A 68 28.049 10.776 -6.311 1.00 8.17 H new ATOM 0 HE1 TYR A 68 31.124 10.526 -10.144 1.00 8.96 H new ATOM 0 HE2 TYR A 68 27.373 11.692 -8.489 1.00 8.94 H new ATOM 0 HH TYR A 68 27.930 12.063 -10.589 1.00 10.22 H new ATOM 1025 N GLY A 69 30.009 6.548 -3.672 1.00 6.15 N ATOM 1026 CA GLY A 69 30.193 6.111 -2.302 1.00 6.07 C ATOM 1027 C GLY A 69 31.234 5.020 -2.142 1.00 5.90 C ATOM 1028 O GLY A 69 31.399 4.474 -1.052 1.00 5.61 O ATOM 0 H GLY A 69 29.305 6.028 -4.196 1.00 6.15 H new ATOM 0 HA2 GLY A 69 30.482 6.968 -1.693 1.00 6.07 H new ATOM 0 HA3 GLY A 69 29.240 5.751 -1.914 1.00 6.07 H new ATOM 1032 N GLN A 70 31.954 4.711 -3.212 1.00 6.45 N ATOM 1033 CA GLN A 70 32.954 3.655 -3.158 1.00 6.69 C ATOM 1034 C GLN A 70 34.289 4.192 -2.654 1.00 6.71 C ATOM 1035 O GLN A 70 35.273 4.262 -3.393 1.00 7.25 O ATOM 1036 CB GLN A 70 33.127 2.991 -4.525 1.00 7.70 C ATOM 1037 CG GLN A 70 31.851 2.336 -5.033 1.00 8.32 C ATOM 1038 CD GLN A 70 32.051 1.564 -6.325 1.00 9.06 C ATOM 1039 OE1 GLN A 70 32.330 0.367 -6.312 1.00 9.52 O ATOM 1040 NE2 GLN A 70 31.907 2.248 -7.449 1.00 9.42 N ATOM 0 H GLN A 70 31.866 5.171 -4.118 1.00 6.45 H new ATOM 0 HA GLN A 70 32.601 2.901 -2.455 1.00 6.69 H new ATOM 0 HB2 GLN A 70 33.458 3.738 -5.247 1.00 7.70 H new ATOM 0 HB3 GLN A 70 33.914 2.240 -4.461 1.00 7.70 H new ATOM 0 HG2 GLN A 70 31.468 1.660 -4.269 1.00 8.32 H new ATOM 0 HG3 GLN A 70 31.093 3.104 -5.189 1.00 8.32 H new ATOM 0 HE21 GLN A 70 31.675 3.241 -7.416 1.00 9.42 H new ATOM 0 HE22 GLN A 70 32.028 1.782 -8.348 1.00 9.42 H new ATOM 1049 N LYS A 71 34.301 4.608 -1.395 1.00 6.35 N ATOM 1050 CA LYS A 71 35.520 5.046 -0.738 1.00 6.54 C ATOM 1051 C LYS A 71 35.949 4.004 0.300 1.00 6.34 C ATOM 1052 O LYS A 71 35.342 3.873 1.362 1.00 6.36 O ATOM 1053 CB LYS A 71 35.328 6.439 -0.114 1.00 6.82 C ATOM 1054 CG LYS A 71 33.882 6.788 0.231 1.00 6.50 C ATOM 1055 CD LYS A 71 33.378 5.993 1.417 1.00 6.36 C ATOM 1056 CE LYS A 71 34.091 6.412 2.694 1.00 6.74 C ATOM 1057 NZ LYS A 71 33.731 5.544 3.847 1.00 6.51 N ATOM 0 H LYS A 71 33.470 4.651 -0.805 1.00 6.35 H new ATOM 0 HA LYS A 71 36.319 5.135 -1.474 1.00 6.54 H new ATOM 0 HB2 LYS A 71 35.929 6.502 0.793 1.00 6.82 H new ATOM 0 HB3 LYS A 71 35.714 7.188 -0.805 1.00 6.82 H new ATOM 0 HG2 LYS A 71 33.808 7.853 0.450 1.00 6.50 H new ATOM 0 HG3 LYS A 71 33.246 6.595 -0.633 1.00 6.50 H new ATOM 0 HD2 LYS A 71 32.304 6.142 1.530 1.00 6.36 H new ATOM 0 HD3 LYS A 71 33.536 4.929 1.240 1.00 6.36 H new ATOM 0 HE2 LYS A 71 35.169 6.375 2.536 1.00 6.74 H new ATOM 0 HE3 LYS A 71 33.838 7.446 2.927 1.00 6.74 H new ATOM 0 HZ1 LYS A 71 34.239 5.865 4.695 1.00 6.51 H new ATOM 0 HZ2 LYS A 71 32.706 5.598 4.016 1.00 6.51 H new ATOM 0 HZ3 LYS A 71 33.995 4.560 3.637 1.00 6.51 H new ATOM 1071 N PRO A 72 36.990 3.229 -0.023 1.00 6.47 N ATOM 1072 CA PRO A 72 37.388 2.039 0.742 1.00 6.58 C ATOM 1073 C PRO A 72 38.124 2.350 2.044 1.00 6.47 C ATOM 1074 O PRO A 72 38.354 1.458 2.861 1.00 6.74 O ATOM 1075 CB PRO A 72 38.318 1.291 -0.229 1.00 7.14 C ATOM 1076 CG PRO A 72 38.185 2.007 -1.533 1.00 7.24 C ATOM 1077 CD PRO A 72 37.862 3.421 -1.179 1.00 6.89 C ATOM 0 HA PRO A 72 36.513 1.473 1.063 1.00 6.58 H new ATOM 0 HB2 PRO A 72 39.349 1.306 0.124 1.00 7.14 H new ATOM 0 HB3 PRO A 72 38.028 0.245 -0.324 1.00 7.14 H new ATOM 0 HG2 PRO A 72 39.108 1.948 -2.110 1.00 7.24 H new ATOM 0 HG3 PRO A 72 37.398 1.566 -2.145 1.00 7.24 H new ATOM 0 HD2 PRO A 72 38.753 3.998 -0.932 1.00 6.89 H new ATOM 0 HD3 PRO A 72 37.359 3.945 -1.992 1.00 6.89 H new ATOM 1085 N GLU A 73 38.496 3.603 2.237 1.00 6.33 N ATOM 1086 CA GLU A 73 39.204 3.994 3.448 1.00 6.45 C ATOM 1087 C GLU A 73 38.293 3.917 4.670 1.00 6.01 C ATOM 1088 O GLU A 73 37.227 4.539 4.711 1.00 5.68 O ATOM 1089 CB GLU A 73 39.789 5.396 3.294 1.00 6.92 C ATOM 1090 CG GLU A 73 40.925 5.455 2.288 1.00 7.38 C ATOM 1091 CD GLU A 73 41.357 6.865 1.965 1.00 7.92 C ATOM 1092 OE1 GLU A 73 42.209 7.411 2.698 1.00 8.39 O ATOM 1093 OE2 GLU A 73 40.841 7.449 0.991 1.00 8.11 O ATOM 0 H GLU A 73 38.323 4.363 1.579 1.00 6.33 H new ATOM 0 HA GLU A 73 40.024 3.292 3.602 1.00 6.45 H new ATOM 0 HB2 GLU A 73 39.000 6.081 2.984 1.00 6.92 H new ATOM 0 HB3 GLU A 73 40.150 5.742 4.263 1.00 6.92 H new ATOM 0 HG2 GLU A 73 41.778 4.901 2.679 1.00 7.38 H new ATOM 0 HG3 GLU A 73 40.615 4.957 1.369 1.00 7.38 H new ATOM 1100 N GLN A 74 38.716 3.132 5.656 1.00 6.31 N ATOM 1101 CA GLN A 74 37.954 2.954 6.890 1.00 6.22 C ATOM 1102 C GLN A 74 38.892 2.886 8.106 1.00 6.34 C ATOM 1103 O GLN A 74 38.744 3.676 9.035 1.00 6.32 O ATOM 1104 CB GLN A 74 37.054 1.702 6.800 1.00 6.38 C ATOM 1105 CG GLN A 74 36.015 1.583 7.918 1.00 6.83 C ATOM 1106 CD GLN A 74 36.520 0.835 9.149 1.00 7.20 C ATOM 1107 OE1 GLN A 74 37.369 -0.162 8.942 1.00 7.16 O flip ATOM 1108 NE2 GLN A 74 36.122 1.133 10.275 1.00 7.82 N flip ATOM 0 H GLN A 74 39.589 2.605 5.625 1.00 6.31 H new ATOM 0 HA GLN A 74 37.305 3.820 7.022 1.00 6.22 H new ATOM 0 HB2 GLN A 74 36.537 1.711 5.841 1.00 6.38 H new ATOM 0 HB3 GLN A 74 37.686 0.814 6.813 1.00 6.38 H new ATOM 0 HG2 GLN A 74 35.699 2.583 8.216 1.00 6.83 H new ATOM 0 HG3 GLN A 74 35.134 1.072 7.530 1.00 6.83 H new ATOM 0 HE21 GLN A 74 35.469 1.907 10.397 1.00 7.82 H new ATOM 0 HE22 GLN A 74 36.446 0.606 11.086 1.00 7.82 H new ATOM 1117 N PRO A 75 39.884 1.962 8.128 1.00 6.73 N ATOM 1118 CA PRO A 75 40.817 1.849 9.252 1.00 7.11 C ATOM 1119 C PRO A 75 41.859 2.969 9.243 1.00 7.12 C ATOM 1120 O PRO A 75 41.862 3.842 10.110 1.00 7.46 O ATOM 1121 CB PRO A 75 41.497 0.481 9.043 1.00 7.79 C ATOM 1122 CG PRO A 75 40.809 -0.153 7.873 1.00 7.64 C ATOM 1123 CD PRO A 75 40.184 0.964 7.092 1.00 7.09 C ATOM 0 HA PRO A 75 40.305 1.931 10.211 1.00 7.11 H new ATOM 0 HB2 PRO A 75 42.563 0.602 8.849 1.00 7.79 H new ATOM 0 HB3 PRO A 75 41.403 -0.141 9.933 1.00 7.79 H new ATOM 0 HG2 PRO A 75 41.519 -0.707 7.258 1.00 7.64 H new ATOM 0 HG3 PRO A 75 40.053 -0.864 8.206 1.00 7.64 H new ATOM 0 HD2 PRO A 75 40.864 1.358 6.336 1.00 7.09 H new ATOM 0 HD3 PRO A 75 39.283 0.638 6.572 1.00 7.09 H new ATOM 1131 N SER A 76 42.746 2.931 8.258 1.00 7.00 N ATOM 1132 CA SER A 76 43.760 3.962 8.080 1.00 7.24 C ATOM 1133 C SER A 76 44.215 3.969 6.628 1.00 7.24 C ATOM 1134 O SER A 76 43.777 4.799 5.838 1.00 7.02 O ATOM 1135 CB SER A 76 44.955 3.720 9.004 1.00 7.66 C ATOM 1136 OG SER A 76 44.555 3.660 10.364 1.00 7.89 O ATOM 0 H SER A 76 42.783 2.187 7.561 1.00 7.00 H new ATOM 0 HA SER A 76 43.328 4.930 8.336 1.00 7.24 H new ATOM 0 HB2 SER A 76 45.448 2.788 8.727 1.00 7.66 H new ATOM 0 HB3 SER A 76 45.685 4.518 8.873 1.00 7.66 H new ATOM 0 HG SER A 76 45.340 3.503 10.929 1.00 7.89 H new ATOM 1142 N GLY A 77 45.085 3.024 6.274 1.00 7.81 N ATOM 1143 CA GLY A 77 45.468 2.842 4.886 1.00 8.19 C ATOM 1144 C GLY A 77 46.442 3.889 4.368 1.00 8.67 C ATOM 1145 O GLY A 77 47.601 3.580 4.109 1.00 9.39 O ATOM 0 H GLY A 77 45.531 2.380 6.927 1.00 7.81 H new ATOM 0 HA2 GLY A 77 45.917 1.855 4.770 1.00 8.19 H new ATOM 0 HA3 GLY A 77 44.571 2.859 4.267 1.00 8.19 H new ATOM 1149 N ALA A 78 45.976 5.126 4.241 1.00 8.46 N ATOM 1150 CA ALA A 78 46.727 6.180 3.560 1.00 9.08 C ATOM 1151 C ALA A 78 48.102 6.450 4.179 1.00 9.03 C ATOM 1152 O ALA A 78 49.051 6.786 3.465 1.00 8.98 O ATOM 1153 CB ALA A 78 45.900 7.458 3.529 1.00 9.36 C ATOM 0 H ALA A 78 45.072 5.428 4.604 1.00 8.46 H new ATOM 0 HA ALA A 78 46.917 5.828 2.546 1.00 9.08 H new ATOM 0 HB1 ALA A 78 46.461 8.242 3.021 1.00 9.36 H new ATOM 0 HB2 ALA A 78 44.968 7.275 2.995 1.00 9.36 H new ATOM 0 HB3 ALA A 78 45.678 7.773 4.549 1.00 9.36 H new ATOM 1159 N SER A 79 48.225 6.285 5.485 1.00 9.25 N ATOM 1160 CA SER A 79 49.449 6.662 6.170 1.00 9.45 C ATOM 1161 C SER A 79 50.471 5.522 6.196 1.00 9.58 C ATOM 1162 O SER A 79 51.633 5.719 5.826 1.00 9.90 O ATOM 1163 CB SER A 79 49.137 7.128 7.592 1.00 9.59 C ATOM 1164 OG SER A 79 50.277 7.719 8.201 1.00 9.83 O ATOM 0 H SER A 79 47.500 5.896 6.087 1.00 9.25 H new ATOM 0 HA SER A 79 49.895 7.484 5.611 1.00 9.45 H new ATOM 0 HB2 SER A 79 48.319 7.848 7.570 1.00 9.59 H new ATOM 0 HB3 SER A 79 48.800 6.281 8.190 1.00 9.59 H new ATOM 0 HG SER A 79 50.049 8.009 9.109 1.00 9.83 H new ATOM 1170 N ALA A 80 50.047 4.334 6.608 1.00 9.56 N ATOM 1171 CA ALA A 80 50.981 3.234 6.817 1.00 9.88 C ATOM 1172 C ALA A 80 50.367 1.893 6.427 1.00 9.90 C ATOM 1173 O ALA A 80 49.147 1.771 6.291 1.00 10.21 O ATOM 1174 CB ALA A 80 51.441 3.205 8.266 1.00 10.43 C ATOM 0 H ALA A 80 49.072 4.108 6.803 1.00 9.56 H new ATOM 0 HA ALA A 80 51.843 3.401 6.172 1.00 9.88 H new ATOM 0 HB1 ALA A 80 52.138 2.379 8.410 1.00 10.43 H new ATOM 0 HB2 ALA A 80 51.936 4.145 8.509 1.00 10.43 H new ATOM 0 HB3 ALA A 80 50.579 3.070 8.919 1.00 10.43 H new ATOM 1180 N GLY A 81 51.229 0.897 6.227 1.00 9.80 N ATOM 1181 CA GLY A 81 50.785 -0.435 5.849 1.00 10.04 C ATOM 1182 C GLY A 81 50.363 -0.519 4.398 1.00 10.12 C ATOM 1183 O GLY A 81 50.085 -1.603 3.884 1.00 10.38 O ATOM 0 H GLY A 81 52.240 0.992 6.322 1.00 9.80 H new ATOM 0 HA2 GLY A 81 51.590 -1.147 6.031 1.00 10.04 H new ATOM 0 HA3 GLY A 81 49.949 -0.729 6.484 1.00 10.04 H new ATOM 1187 N HIS A 82 50.336 0.621 3.728 1.00 10.09 N ATOM 1188 CA HIS A 82 49.854 0.678 2.356 1.00 10.32 C ATOM 1189 C HIS A 82 50.965 0.359 1.358 1.00 10.96 C ATOM 1190 O HIS A 82 51.675 1.237 0.873 1.00 11.19 O ATOM 1191 CB HIS A 82 49.194 2.039 2.059 1.00 10.38 C ATOM 1192 CG HIS A 82 50.113 3.230 2.103 1.00 10.29 C ATOM 1193 ND1 HIS A 82 50.428 3.975 0.986 1.00 10.66 N ATOM 1194 CD2 HIS A 82 50.771 3.815 3.134 1.00 10.14 C ATOM 1195 CE1 HIS A 82 51.234 4.959 1.326 1.00 10.73 C ATOM 1196 NE2 HIS A 82 51.460 4.885 2.621 1.00 10.43 N ATOM 0 H HIS A 82 50.641 1.517 4.109 1.00 10.09 H new ATOM 0 HA HIS A 82 49.090 -0.091 2.239 1.00 10.32 H new ATOM 0 HB2 HIS A 82 48.736 1.993 1.071 1.00 10.38 H new ATOM 0 HB3 HIS A 82 48.389 2.197 2.777 1.00 10.38 H new ATOM 0 HD2 HIS A 82 50.756 3.498 4.166 1.00 10.14 H new ATOM 0 HE1 HIS A 82 51.641 5.702 0.656 1.00 10.73 H new ATOM 0 HE2 HIS A 82 52.052 5.520 3.156 1.00 10.43 H new ATOM 1205 N ARG A 83 51.128 -0.923 1.102 1.00 11.41 N ATOM 1206 CA ARG A 83 52.060 -1.411 0.098 1.00 12.20 C ATOM 1207 C ARG A 83 51.356 -2.461 -0.748 1.00 12.66 C ATOM 1208 O ARG A 83 50.142 -2.614 -0.645 1.00 12.79 O ATOM 1209 CB ARG A 83 53.316 -2.014 0.740 1.00 12.48 C ATOM 1210 CG ARG A 83 54.356 -0.989 1.171 1.00 12.24 C ATOM 1211 CD ARG A 83 54.006 -0.337 2.497 1.00 12.18 C ATOM 1212 NE ARG A 83 54.933 0.742 2.831 1.00 12.92 N ATOM 1213 CZ ARG A 83 55.539 0.875 4.011 1.00 13.33 C ATOM 1214 NH1 ARG A 83 55.352 -0.028 4.962 1.00 13.12 N ATOM 1215 NH2 ARG A 83 56.358 1.893 4.233 1.00 14.12 N ATOM 0 H ARG A 83 50.617 -1.662 1.585 1.00 11.41 H new ATOM 0 HA ARG A 83 52.379 -0.573 -0.521 1.00 12.20 H new ATOM 0 HB2 ARG A 83 53.019 -2.600 1.610 1.00 12.48 H new ATOM 0 HB3 ARG A 83 53.775 -2.704 0.032 1.00 12.48 H new ATOM 0 HG2 ARG A 83 55.329 -1.474 1.252 1.00 12.24 H new ATOM 0 HG3 ARG A 83 54.446 -0.221 0.403 1.00 12.24 H new ATOM 0 HD2 ARG A 83 52.991 0.057 2.452 1.00 12.18 H new ATOM 0 HD3 ARG A 83 54.022 -1.088 3.287 1.00 12.18 H new ATOM 0 HE ARG A 83 55.130 1.440 2.114 1.00 12.92 H new ATOM 0 HH11 ARG A 83 54.743 -0.828 4.793 1.00 13.12 H new ATOM 0 HH12 ARG A 83 55.817 0.077 5.864 1.00 13.12 H new ATOM 0 HH21 ARG A 83 56.528 2.580 3.499 1.00 14.12 H new ATOM 0 HH22 ARG A 83 56.819 1.989 5.138 1.00 14.12 H new ATOM 1229 N PHE A 84 52.097 -3.174 -1.588 1.00 13.06 N ATOM 1230 CA PHE A 84 51.503 -4.276 -2.347 1.00 13.61 C ATOM 1231 C PHE A 84 50.991 -5.372 -1.410 1.00 14.10 C ATOM 1232 O PHE A 84 49.849 -5.800 -1.534 1.00 14.50 O ATOM 1233 CB PHE A 84 52.488 -4.866 -3.355 1.00 14.25 C ATOM 1234 CG PHE A 84 52.826 -3.947 -4.494 1.00 14.22 C ATOM 1235 CD1 PHE A 84 51.888 -3.656 -5.470 1.00 14.39 C ATOM 1236 CD2 PHE A 84 54.084 -3.371 -4.587 1.00 14.17 C ATOM 1237 CE1 PHE A 84 52.195 -2.810 -6.518 1.00 14.57 C ATOM 1238 CE2 PHE A 84 54.397 -2.524 -5.632 1.00 14.34 C ATOM 1239 CZ PHE A 84 53.452 -2.244 -6.597 1.00 14.57 C ATOM 0 H PHE A 84 53.090 -3.017 -1.761 1.00 13.06 H new ATOM 0 HA PHE A 84 50.660 -3.864 -2.902 1.00 13.61 H new ATOM 0 HB2 PHE A 84 53.407 -5.134 -2.834 1.00 14.25 H new ATOM 0 HB3 PHE A 84 52.069 -5.788 -3.758 1.00 14.25 H new ATOM 0 HD1 PHE A 84 50.904 -4.096 -5.411 1.00 14.39 H new ATOM 0 HD2 PHE A 84 54.827 -3.587 -3.834 1.00 14.17 H new ATOM 0 HE1 PHE A 84 51.454 -2.592 -7.273 1.00 14.57 H new ATOM 0 HE2 PHE A 84 55.380 -2.082 -5.694 1.00 14.34 H new ATOM 0 HZ PHE A 84 53.695 -1.582 -7.415 1.00 14.57 H new ATOM 1249 N PRO A 85 51.830 -5.866 -0.471 1.00 14.25 N ATOM 1250 CA PRO A 85 51.382 -6.772 0.581 1.00 14.89 C ATOM 1251 C PRO A 85 50.092 -6.298 1.233 1.00 14.90 C ATOM 1252 O PRO A 85 49.904 -5.103 1.461 1.00 15.47 O ATOM 1253 CB PRO A 85 52.536 -6.750 1.578 1.00 14.92 C ATOM 1254 CG PRO A 85 53.734 -6.523 0.726 1.00 14.53 C ATOM 1255 CD PRO A 85 53.279 -5.621 -0.388 1.00 14.02 C ATOM 0 HA PRO A 85 51.155 -7.768 0.201 1.00 14.89 H new ATOM 0 HB2 PRO A 85 52.413 -5.957 2.315 1.00 14.92 H new ATOM 0 HB3 PRO A 85 52.608 -7.688 2.128 1.00 14.92 H new ATOM 0 HG2 PRO A 85 54.539 -6.062 1.298 1.00 14.53 H new ATOM 0 HG3 PRO A 85 54.119 -7.464 0.334 1.00 14.53 H new ATOM 0 HD2 PRO A 85 53.496 -4.575 -0.169 1.00 14.02 H new ATOM 0 HD3 PRO A 85 53.779 -5.861 -1.326 1.00 14.02 H new ATOM 1263 N GLN A 86 49.217 -7.264 1.494 1.00 14.42 N ATOM 1264 CA GLN A 86 47.867 -7.046 2.052 1.00 14.58 C ATOM 1265 C GLN A 86 46.887 -6.730 0.933 1.00 14.98 C ATOM 1266 O GLN A 86 45.714 -7.094 0.999 1.00 15.51 O ATOM 1267 CB GLN A 86 47.801 -5.930 3.113 1.00 13.80 C ATOM 1268 CG GLN A 86 48.827 -6.041 4.233 1.00 13.24 C ATOM 1269 CD GLN A 86 48.534 -5.102 5.390 1.00 12.42 C ATOM 1270 OE1 GLN A 86 47.885 -5.491 6.359 1.00 12.34 O ATOM 1271 NE2 GLN A 86 48.967 -3.853 5.282 1.00 11.97 N ATOM 0 H GLN A 86 49.423 -8.248 1.323 1.00 14.42 H new ATOM 0 HA GLN A 86 47.598 -7.975 2.556 1.00 14.58 H new ATOM 0 HB2 GLN A 86 47.932 -4.969 2.615 1.00 13.80 H new ATOM 0 HB3 GLN A 86 46.804 -5.928 3.554 1.00 13.80 H new ATOM 0 HG2 GLN A 86 48.849 -7.067 4.600 1.00 13.24 H new ATOM 0 HG3 GLN A 86 49.818 -5.823 3.835 1.00 13.24 H new ATOM 0 HE21 GLN A 86 49.503 -3.568 4.462 1.00 11.97 H new ATOM 0 HE22 GLN A 86 48.764 -3.177 6.019 1.00 11.97 H new ATOM 1280 N GLY A 87 47.382 -6.056 -0.088 1.00 14.85 N ATOM 1281 CA GLY A 87 46.571 -5.750 -1.246 1.00 15.28 C ATOM 1282 C GLY A 87 46.948 -6.624 -2.419 1.00 15.54 C ATOM 1283 O GLY A 87 46.527 -6.383 -3.550 1.00 16.04 O ATOM 0 H GLY A 87 48.341 -5.711 -0.137 1.00 14.85 H new ATOM 0 HA2 GLY A 87 45.518 -5.894 -1.005 1.00 15.28 H new ATOM 0 HA3 GLY A 87 46.696 -4.701 -1.515 1.00 15.28 H new ATOM 1287 N TYR A 88 47.767 -7.634 -2.138 1.00 15.34 N ATOM 1288 CA TYR A 88 48.202 -8.586 -3.144 1.00 15.74 C ATOM 1289 C TYR A 88 46.988 -9.311 -3.715 1.00 16.38 C ATOM 1290 O TYR A 88 46.369 -10.129 -3.028 1.00 16.65 O ATOM 1291 CB TYR A 88 49.186 -9.588 -2.535 1.00 15.89 C ATOM 1292 CG TYR A 88 49.842 -10.513 -3.543 1.00 16.18 C ATOM 1293 CD1 TYR A 88 50.894 -10.070 -4.336 1.00 16.39 C ATOM 1294 CD2 TYR A 88 49.421 -11.828 -3.693 1.00 16.39 C ATOM 1295 CE1 TYR A 88 51.507 -10.912 -5.248 1.00 16.82 C ATOM 1296 CE2 TYR A 88 50.027 -12.676 -4.605 1.00 16.82 C ATOM 1297 CZ TYR A 88 51.071 -12.212 -5.381 1.00 17.05 C ATOM 1298 OH TYR A 88 51.686 -13.054 -6.285 1.00 17.61 O ATOM 0 H TYR A 88 48.145 -7.811 -1.207 1.00 15.34 H new ATOM 0 HA TYR A 88 48.710 -8.054 -3.948 1.00 15.74 H new ATOM 0 HB2 TYR A 88 49.964 -9.039 -2.004 1.00 15.89 H new ATOM 0 HB3 TYR A 88 48.660 -10.191 -1.795 1.00 15.89 H new ATOM 0 HD1 TYR A 88 51.239 -9.051 -4.239 1.00 16.39 H new ATOM 0 HD2 TYR A 88 48.606 -12.196 -3.087 1.00 16.39 H new ATOM 0 HE1 TYR A 88 52.325 -10.551 -5.854 1.00 16.82 H new ATOM 0 HE2 TYR A 88 49.685 -13.695 -4.709 1.00 16.82 H new ATOM 0 HH TYR A 88 51.259 -13.936 -6.254 1.00 17.61 H new ATOM 1308 N HIS A 89 46.651 -8.988 -4.958 1.00 16.74 N ATOM 1309 CA HIS A 89 45.457 -9.507 -5.622 1.00 17.45 C ATOM 1310 C HIS A 89 44.189 -8.978 -4.971 1.00 17.29 C ATOM 1311 O HIS A 89 43.649 -7.965 -5.412 1.00 17.63 O ATOM 1312 CB HIS A 89 45.435 -11.041 -5.653 1.00 18.42 C ATOM 1313 CG HIS A 89 46.275 -11.629 -6.737 1.00 18.85 C ATOM 1314 ND1 HIS A 89 45.777 -12.492 -7.689 1.00 19.52 N ATOM 1315 CD2 HIS A 89 47.588 -11.482 -7.017 1.00 18.83 C ATOM 1316 CE1 HIS A 89 46.747 -12.841 -8.511 1.00 19.89 C ATOM 1317 NE2 HIS A 89 47.853 -12.244 -8.125 1.00 19.49 N ATOM 0 H HIS A 89 47.201 -8.355 -5.539 1.00 16.74 H new ATOM 0 HA HIS A 89 45.494 -9.153 -6.652 1.00 17.45 H new ATOM 0 HB2 HIS A 89 45.780 -11.420 -4.691 1.00 18.42 H new ATOM 0 HB3 HIS A 89 44.406 -11.379 -5.778 1.00 18.42 H new ATOM 0 HD2 HIS A 89 48.296 -10.877 -6.470 1.00 18.83 H new ATOM 0 HE1 HIS A 89 46.650 -13.505 -9.358 1.00 19.89 H new ATOM 0 HE2 HIS A 89 48.763 -12.334 -8.578 1.00 19.49 H new ATOM 1326 N SER A 90 43.749 -9.640 -3.901 1.00 16.89 N ATOM 1327 CA SER A 90 42.466 -9.345 -3.272 1.00 16.87 C ATOM 1328 C SER A 90 41.333 -9.399 -4.302 1.00 17.40 C ATOM 1329 O SER A 90 40.784 -10.469 -4.559 1.00 17.57 O ATOM 1330 CB SER A 90 42.503 -7.983 -2.582 1.00 16.22 C ATOM 1331 OG SER A 90 43.585 -7.900 -1.673 1.00 16.09 O ATOM 0 H SER A 90 44.270 -10.392 -3.449 1.00 16.89 H new ATOM 0 HA SER A 90 42.275 -10.105 -2.515 1.00 16.87 H new ATOM 0 HB2 SER A 90 42.592 -7.195 -3.330 1.00 16.22 H new ATOM 0 HB3 SER A 90 41.565 -7.815 -2.052 1.00 16.22 H new ATOM 0 HG SER A 90 43.587 -7.018 -1.246 1.00 16.09 H new ATOM 1337 N ASP A 91 41.016 -8.234 -4.878 1.00 17.78 N ATOM 1338 CA ASP A 91 40.060 -8.107 -5.982 1.00 18.42 C ATOM 1339 C ASP A 91 38.784 -8.908 -5.749 1.00 18.69 C ATOM 1340 O ASP A 91 38.639 -10.038 -6.219 1.00 19.21 O ATOM 1341 CB ASP A 91 40.712 -8.532 -7.292 1.00 19.03 C ATOM 1342 CG ASP A 91 39.850 -8.239 -8.496 1.00 19.61 C ATOM 1343 OD1 ASP A 91 39.158 -7.199 -8.495 1.00 19.68 O ATOM 1344 OD2 ASP A 91 39.846 -9.059 -9.437 1.00 20.11 O ATOM 0 H ASP A 91 41.421 -7.344 -4.587 1.00 17.78 H new ATOM 0 HA ASP A 91 39.774 -7.057 -6.037 1.00 18.42 H new ATOM 0 HB2 ASP A 91 41.667 -8.018 -7.401 1.00 19.03 H new ATOM 0 HB3 ASP A 91 40.927 -9.600 -7.256 1.00 19.03 H new ATOM 1349 N LYS A 92 37.866 -8.314 -5.019 1.00 18.45 N ATOM 1350 CA LYS A 92 36.617 -8.974 -4.686 1.00 18.78 C ATOM 1351 C LYS A 92 35.437 -8.099 -5.076 1.00 19.35 C ATOM 1352 O LYS A 92 34.444 -8.595 -5.591 1.00 19.92 O ATOM 1353 CB LYS A 92 36.580 -9.285 -3.189 1.00 18.38 C ATOM 1354 CG LYS A 92 37.621 -10.308 -2.760 1.00 18.13 C ATOM 1355 CD LYS A 92 37.930 -10.205 -1.280 1.00 18.03 C ATOM 1356 CE LYS A 92 38.624 -8.893 -0.964 1.00 17.98 C ATOM 1357 NZ LYS A 92 39.012 -8.795 0.463 1.00 17.78 N ATOM 0 H LYS A 92 37.959 -7.371 -4.642 1.00 18.45 H new ATOM 0 HA LYS A 92 36.549 -9.909 -5.243 1.00 18.78 H new ATOM 0 HB2 LYS A 92 36.735 -8.363 -2.630 1.00 18.38 H new ATOM 0 HB3 LYS A 92 35.589 -9.654 -2.926 1.00 18.38 H new ATOM 0 HG2 LYS A 92 37.261 -11.311 -2.988 1.00 18.13 H new ATOM 0 HG3 LYS A 92 38.536 -10.160 -3.334 1.00 18.13 H new ATOM 0 HD2 LYS A 92 37.007 -10.281 -0.705 1.00 18.03 H new ATOM 0 HD3 LYS A 92 38.564 -11.039 -0.977 1.00 18.03 H new ATOM 0 HE2 LYS A 92 39.512 -8.794 -1.588 1.00 17.98 H new ATOM 0 HE3 LYS A 92 37.963 -8.064 -1.217 1.00 17.98 H new ATOM 0 HZ1 LYS A 92 39.482 -7.883 0.633 1.00 17.78 H new ATOM 0 HZ2 LYS A 92 38.163 -8.863 1.059 1.00 17.78 H new ATOM 0 HZ3 LYS A 92 39.664 -9.570 0.700 1.00 17.78 H new ATOM 1371 N ARG A 93 35.611 -6.786 -4.881 1.00 19.31 N ATOM 1372 CA ARG A 93 34.550 -5.775 -5.084 1.00 19.91 C ATOM 1373 C ARG A 93 33.207 -6.210 -4.493 1.00 20.36 C ATOM 1374 O ARG A 93 32.453 -6.947 -5.127 1.00 20.53 O ATOM 1375 CB ARG A 93 34.356 -5.436 -6.568 1.00 20.42 C ATOM 1376 CG ARG A 93 35.630 -5.046 -7.306 1.00 20.25 C ATOM 1377 CD ARG A 93 36.329 -6.273 -7.864 1.00 20.24 C ATOM 1378 NE ARG A 93 35.404 -7.077 -8.654 1.00 20.81 N ATOM 1379 CZ ARG A 93 35.656 -8.305 -9.096 1.00 21.12 C ATOM 1380 NH1 ARG A 93 36.872 -8.813 -8.980 1.00 20.91 N ATOM 1381 NH2 ARG A 93 34.701 -8.999 -9.698 1.00 21.73 N ATOM 0 H ARG A 93 36.498 -6.386 -4.575 1.00 19.31 H new ATOM 0 HA ARG A 93 34.892 -4.885 -4.555 1.00 19.91 H new ATOM 0 HB2 ARG A 93 33.912 -6.297 -7.068 1.00 20.42 H new ATOM 0 HB3 ARG A 93 33.641 -4.617 -6.649 1.00 20.42 H new ATOM 0 HG2 ARG A 93 35.389 -4.359 -8.117 1.00 20.25 H new ATOM 0 HG3 ARG A 93 36.300 -4.517 -6.629 1.00 20.25 H new ATOM 0 HD2 ARG A 93 37.173 -5.967 -8.482 1.00 20.24 H new ATOM 0 HD3 ARG A 93 36.733 -6.871 -7.047 1.00 20.24 H new ATOM 0 HE ARG A 93 34.498 -6.668 -8.884 1.00 20.81 H new ATOM 0 HH11 ARG A 93 37.616 -8.262 -8.551 1.00 20.91 H new ATOM 0 HH12 ARG A 93 37.066 -9.755 -9.319 1.00 20.91 H new ATOM 0 HH21 ARG A 93 33.774 -8.591 -9.822 1.00 21.73 H new ATOM 0 HH22 ARG A 93 34.892 -9.941 -10.038 1.00 21.73 H new ATOM 1395 N ARG A 94 32.900 -5.716 -3.288 1.00 20.65 N ATOM 1396 CA ARG A 94 31.664 -6.083 -2.585 1.00 21.26 C ATOM 1397 C ARG A 94 31.721 -7.541 -2.137 1.00 22.10 C ATOM 1398 O ARG A 94 32.790 -8.152 -2.123 1.00 22.42 O ATOM 1399 CB ARG A 94 30.426 -5.865 -3.474 1.00 21.34 C ATOM 1400 CG ARG A 94 30.114 -4.412 -3.787 1.00 21.30 C ATOM 1401 CD ARG A 94 29.626 -3.670 -2.557 1.00 21.28 C ATOM 1402 NE ARG A 94 28.783 -2.528 -2.920 1.00 21.49 N ATOM 1403 CZ ARG A 94 27.951 -1.910 -2.080 1.00 21.68 C ATOM 1404 NH1 ARG A 94 27.889 -2.275 -0.804 1.00 21.65 N ATOM 1405 NH2 ARG A 94 27.184 -0.924 -2.528 1.00 21.99 N ATOM 0 H ARG A 94 33.491 -5.060 -2.778 1.00 20.65 H new ATOM 0 HA ARG A 94 31.578 -5.437 -1.711 1.00 21.26 H new ATOM 0 HB2 ARG A 94 30.571 -6.401 -4.412 1.00 21.34 H new ATOM 0 HB3 ARG A 94 29.561 -6.310 -2.983 1.00 21.34 H new ATOM 0 HG2 ARG A 94 31.007 -3.923 -4.178 1.00 21.30 H new ATOM 0 HG3 ARG A 94 29.355 -4.362 -4.568 1.00 21.30 H new ATOM 0 HD2 ARG A 94 29.063 -4.351 -1.919 1.00 21.28 H new ATOM 0 HD3 ARG A 94 30.481 -3.323 -1.977 1.00 21.28 H new ATOM 0 HE ARG A 94 28.836 -2.183 -3.878 1.00 21.49 H new ATOM 0 HH11 ARG A 94 28.480 -3.032 -0.461 1.00 21.65 H new ATOM 0 HH12 ARG A 94 27.250 -1.798 -0.168 1.00 21.65 H new ATOM 0 HH21 ARG A 94 27.233 -0.644 -3.508 1.00 21.99 H new ATOM 0 HH22 ARG A 94 26.545 -0.446 -1.893 1.00 21.99 H new ATOM 1419 N LEU A 95 30.569 -8.087 -1.747 1.00 22.55 N ATOM 1420 CA LEU A 95 30.475 -9.488 -1.340 1.00 23.45 C ATOM 1421 C LEU A 95 29.261 -10.151 -1.984 1.00 24.13 C ATOM 1422 O LEU A 95 29.329 -10.647 -3.110 1.00 24.69 O ATOM 1423 CB LEU A 95 30.363 -9.620 0.182 1.00 23.73 C ATOM 1424 CG LEU A 95 31.546 -9.082 0.979 1.00 23.32 C ATOM 1425 CD1 LEU A 95 31.291 -9.225 2.468 1.00 23.09 C ATOM 1426 CD2 LEU A 95 32.823 -9.811 0.589 1.00 23.46 C ATOM 0 H LEU A 95 29.686 -7.578 -1.705 1.00 22.55 H new ATOM 0 HA LEU A 95 31.387 -9.984 -1.672 1.00 23.45 H new ATOM 0 HB2 LEU A 95 29.462 -9.101 0.508 1.00 23.73 H new ATOM 0 HB3 LEU A 95 30.231 -10.673 0.429 1.00 23.73 H new ATOM 0 HG LEU A 95 31.666 -8.023 0.748 1.00 23.32 H new ATOM 0 HD11 LEU A 95 32.145 -8.836 3.022 1.00 23.09 H new ATOM 0 HD12 LEU A 95 30.397 -8.664 2.739 1.00 23.09 H new ATOM 0 HD13 LEU A 95 31.148 -10.277 2.713 1.00 23.09 H new ATOM 0 HD21 LEU A 95 33.659 -9.416 1.167 1.00 23.46 H new ATOM 0 HD22 LEU A 95 32.711 -10.876 0.794 1.00 23.46 H new ATOM 0 HD23 LEU A 95 33.015 -9.665 -0.474 1.00 23.46 H new ATOM 1438 N SER A 96 28.149 -10.135 -1.261 1.00 24.14 N ATOM 1439 CA SER A 96 26.905 -10.709 -1.741 1.00 24.84 C ATOM 1440 C SER A 96 25.758 -9.728 -1.519 1.00 25.65 C ATOM 1441 O SER A 96 25.028 -9.387 -2.451 1.00 26.06 O ATOM 1442 CB SER A 96 26.634 -12.035 -1.023 1.00 25.35 C ATOM 1443 OG SER A 96 27.730 -12.919 -1.189 1.00 25.01 O ATOM 0 H SER A 96 28.087 -9.725 -0.329 1.00 24.14 H new ATOM 0 HA SER A 96 26.986 -10.905 -2.810 1.00 24.84 H new ATOM 0 HB2 SER A 96 26.463 -11.853 0.038 1.00 25.35 H new ATOM 0 HB3 SER A 96 25.727 -12.492 -1.419 1.00 25.35 H new ATOM 0 HG SER A 96 27.544 -13.761 -0.724 1.00 25.01 H new ATOM 1449 N LYS A 97 25.621 -9.253 -0.285 1.00 25.95 N ATOM 1450 CA LYS A 97 24.573 -8.299 0.053 1.00 26.80 C ATOM 1451 C LYS A 97 25.190 -6.944 0.378 1.00 26.62 C ATOM 1452 O LYS A 97 24.845 -5.932 -0.229 1.00 27.28 O ATOM 1453 CB LYS A 97 23.749 -8.820 1.237 1.00 27.31 C ATOM 1454 CG LYS A 97 23.317 -10.267 1.064 1.00 27.15 C ATOM 1455 CD LYS A 97 23.979 -11.173 2.089 1.00 27.42 C ATOM 1456 CE LYS A 97 23.441 -10.921 3.489 1.00 27.89 C ATOM 1457 NZ LYS A 97 22.025 -11.357 3.629 1.00 28.52 N ATOM 0 H LYS A 97 26.223 -9.514 0.496 1.00 25.95 H new ATOM 0 HA LYS A 97 23.907 -8.179 -0.802 1.00 26.80 H new ATOM 0 HB2 LYS A 97 24.336 -8.728 2.151 1.00 27.31 H new ATOM 0 HB3 LYS A 97 22.865 -8.194 1.362 1.00 27.31 H new ATOM 0 HG2 LYS A 97 22.234 -10.338 1.160 1.00 27.15 H new ATOM 0 HG3 LYS A 97 23.571 -10.606 0.060 1.00 27.15 H new ATOM 0 HD2 LYS A 97 23.812 -12.215 1.816 1.00 27.42 H new ATOM 0 HD3 LYS A 97 25.057 -11.010 2.078 1.00 27.42 H new ATOM 0 HE2 LYS A 97 24.057 -11.451 4.215 1.00 27.89 H new ATOM 0 HE3 LYS A 97 23.518 -9.859 3.721 1.00 27.89 H new ATOM 0 HZ1 LYS A 97 21.765 -11.375 4.636 1.00 28.52 H new ATOM 0 HZ2 LYS A 97 21.405 -10.692 3.124 1.00 28.52 H new ATOM 0 HZ3 LYS A 97 21.913 -12.309 3.225 1.00 28.52 H new ATOM 1471 N ALA A 98 26.104 -6.948 1.344 1.00 25.81 N ATOM 1472 CA ALA A 98 26.912 -5.776 1.679 1.00 25.63 C ATOM 1473 C ALA A 98 26.062 -4.565 2.061 1.00 26.23 C ATOM 1474 O ALA A 98 26.378 -3.429 1.693 1.00 26.50 O ATOM 1475 CB ALA A 98 27.841 -5.446 0.523 1.00 25.39 C ATOM 0 H ALA A 98 26.307 -7.766 1.919 1.00 25.81 H new ATOM 0 HA ALA A 98 27.504 -6.024 2.560 1.00 25.63 H new ATOM 0 HB1 ALA A 98 28.441 -4.572 0.777 1.00 25.39 H new ATOM 0 HB2 ALA A 98 28.498 -6.294 0.331 1.00 25.39 H new ATOM 0 HB3 ALA A 98 27.251 -5.235 -0.369 1.00 25.39 H new ATOM 1481 N SER A 99 25.016 -4.802 2.835 1.00 26.50 N ATOM 1482 CA SER A 99 24.141 -3.729 3.288 1.00 27.15 C ATOM 1483 C SER A 99 24.620 -3.174 4.628 1.00 27.64 C ATOM 1484 O SER A 99 23.869 -2.526 5.357 1.00 28.00 O ATOM 1485 CB SER A 99 22.714 -4.254 3.411 1.00 27.13 C ATOM 1486 OG SER A 99 22.329 -4.923 2.221 1.00 26.99 O ATOM 0 H SER A 99 24.750 -5.730 3.165 1.00 26.50 H new ATOM 0 HA SER A 99 24.165 -2.920 2.558 1.00 27.15 H new ATOM 0 HB2 SER A 99 22.642 -4.936 4.258 1.00 27.13 H new ATOM 0 HB3 SER A 99 22.031 -3.427 3.608 1.00 27.13 H new ATOM 0 HG SER A 99 21.412 -5.256 2.315 1.00 26.99 H new ATOM 1492 N SER A 100 25.886 -3.414 4.930 1.00 27.71 N ATOM 1493 CA SER A 100 26.469 -3.019 6.200 1.00 28.26 C ATOM 1494 C SER A 100 27.133 -1.643 6.095 1.00 28.98 C ATOM 1495 O SER A 100 28.187 -1.494 5.471 1.00 29.38 O ATOM 1496 CB SER A 100 27.487 -4.074 6.646 1.00 28.27 C ATOM 1497 OG SER A 100 26.941 -5.385 6.534 1.00 28.11 O ATOM 0 H SER A 100 26.536 -3.887 4.302 1.00 27.71 H new ATOM 0 HA SER A 100 25.675 -2.948 6.943 1.00 28.26 H new ATOM 0 HB2 SER A 100 28.387 -3.997 6.036 1.00 28.27 H new ATOM 0 HB3 SER A 100 27.784 -3.886 7.678 1.00 28.27 H new ATOM 0 HG SER A 100 27.608 -6.043 6.822 1.00 28.11 H new ATOM 1503 N LYS A 101 26.496 -0.634 6.686 1.00 29.21 N ATOM 1504 CA LYS A 101 27.055 0.711 6.702 1.00 29.94 C ATOM 1505 C LYS A 101 27.527 1.076 8.102 1.00 30.44 C ATOM 1506 O LYS A 101 26.754 1.017 9.063 1.00 31.19 O ATOM 1507 CB LYS A 101 26.039 1.756 6.211 1.00 30.31 C ATOM 1508 CG LYS A 101 25.682 1.640 4.731 1.00 30.08 C ATOM 1509 CD LYS A 101 24.580 0.620 4.479 1.00 30.22 C ATOM 1510 CE LYS A 101 23.233 1.099 5.010 1.00 30.12 C ATOM 1511 NZ LYS A 101 22.798 2.374 4.370 1.00 30.42 N ATOM 0 H LYS A 101 25.596 -0.724 7.158 1.00 29.21 H new ATOM 0 HA LYS A 101 27.905 0.716 6.019 1.00 29.94 H new ATOM 0 HB2 LYS A 101 25.127 1.664 6.801 1.00 30.31 H new ATOM 0 HB3 LYS A 101 26.441 2.752 6.399 1.00 30.31 H new ATOM 0 HG2 LYS A 101 25.364 2.614 4.359 1.00 30.08 H new ATOM 0 HG3 LYS A 101 26.571 1.358 4.166 1.00 30.08 H new ATOM 0 HD2 LYS A 101 24.501 0.427 3.409 1.00 30.22 H new ATOM 0 HD3 LYS A 101 24.843 -0.325 4.955 1.00 30.22 H new ATOM 0 HE2 LYS A 101 22.480 0.330 4.834 1.00 30.12 H new ATOM 0 HE3 LYS A 101 23.299 1.240 6.089 1.00 30.12 H new ATOM 0 HZ1 LYS A 101 21.777 2.506 4.517 1.00 30.42 H new ATOM 0 HZ2 LYS A 101 23.315 3.170 4.796 1.00 30.42 H new ATOM 0 HZ3 LYS A 101 22.999 2.337 3.350 1.00 30.42 H new ATOM 1525 N ALA A 102 28.800 1.426 8.220 1.00 30.08 N ATOM 1526 CA ALA A 102 29.347 1.890 9.488 1.00 30.58 C ATOM 1527 C ALA A 102 28.664 3.181 9.920 1.00 30.59 C ATOM 1528 O ALA A 102 28.359 3.374 11.095 1.00 30.68 O ATOM 1529 CB ALA A 102 30.850 2.092 9.379 1.00 30.57 C ATOM 0 H ALA A 102 29.473 1.398 7.454 1.00 30.08 H new ATOM 0 HA ALA A 102 29.158 1.129 10.245 1.00 30.58 H new ATOM 0 HB1 ALA A 102 31.241 2.439 10.336 1.00 30.57 H new ATOM 0 HB2 ALA A 102 31.326 1.148 9.113 1.00 30.57 H new ATOM 0 HB3 ALA A 102 31.062 2.834 8.610 1.00 30.57 H new ATOM 1535 N ARG A 103 28.430 4.055 8.950 1.00 30.57 N ATOM 1536 CA ARG A 103 27.712 5.303 9.180 1.00 30.65 C ATOM 1537 C ARG A 103 27.322 5.935 7.850 1.00 30.77 C ATOM 1538 O ARG A 103 26.222 6.473 7.716 1.00 30.46 O ATOM 1539 CB ARG A 103 28.541 6.290 10.023 1.00 31.34 C ATOM 1540 CG ARG A 103 29.861 6.703 9.397 1.00 31.28 C ATOM 1541 CD ARG A 103 30.630 7.653 10.304 1.00 31.10 C ATOM 1542 NE ARG A 103 29.911 8.907 10.544 1.00 31.07 N ATOM 1543 CZ ARG A 103 30.263 9.799 11.471 1.00 31.03 C ATOM 1544 NH1 ARG A 103 31.319 9.578 12.249 1.00 31.01 N ATOM 1545 NH2 ARG A 103 29.574 10.922 11.613 1.00 31.09 N ATOM 0 H ARG A 103 28.731 3.920 7.985 1.00 30.57 H new ATOM 0 HA ARG A 103 26.809 5.070 9.744 1.00 30.65 H new ATOM 0 HB2 ARG A 103 27.944 7.184 10.203 1.00 31.34 H new ATOM 0 HB3 ARG A 103 28.740 5.839 10.995 1.00 31.34 H new ATOM 0 HG2 ARG A 103 30.465 5.817 9.199 1.00 31.28 H new ATOM 0 HG3 ARG A 103 29.676 7.184 8.437 1.00 31.28 H new ATOM 0 HD2 ARG A 103 30.825 7.162 11.257 1.00 31.10 H new ATOM 0 HD3 ARG A 103 31.599 7.874 9.855 1.00 31.10 H new ATOM 0 HE ARG A 103 29.094 9.110 9.969 1.00 31.07 H new ATOM 0 HH11 ARG A 103 31.864 8.723 12.138 1.00 31.01 H new ATOM 0 HH12 ARG A 103 31.584 10.264 12.956 1.00 31.01 H new ATOM 0 HH21 ARG A 103 28.771 11.107 11.012 1.00 31.09 H new ATOM 0 HH22 ARG A 103 29.847 11.601 12.323 1.00 31.09 H new ATOM 1559 N SER A 104 28.231 5.842 6.872 1.00 31.30 N ATOM 1560 CA SER A 104 28.021 6.414 5.542 1.00 31.63 C ATOM 1561 C SER A 104 27.526 7.850 5.641 1.00 32.26 C ATOM 1562 O SER A 104 26.477 8.209 5.098 1.00 32.63 O ATOM 1563 CB SER A 104 27.051 5.551 4.739 1.00 31.49 C ATOM 1564 OG SER A 104 27.602 4.265 4.513 1.00 31.60 O ATOM 0 H SER A 104 29.128 5.370 6.982 1.00 31.30 H new ATOM 0 HA SER A 104 28.977 6.429 5.018 1.00 31.63 H new ATOM 0 HB2 SER A 104 26.107 5.459 5.275 1.00 31.49 H new ATOM 0 HB3 SER A 104 26.831 6.032 3.786 1.00 31.49 H new ATOM 0 HG SER A 104 27.144 3.841 3.758 1.00 31.60 H new ATOM 1570 N ASP A 105 28.292 8.662 6.351 1.00 32.44 N ATOM 1571 CA ASP A 105 27.929 10.048 6.581 1.00 33.10 C ATOM 1572 C ASP A 105 28.071 10.854 5.295 1.00 33.71 C ATOM 1573 O ASP A 105 28.654 10.380 4.316 1.00 33.79 O ATOM 1574 CB ASP A 105 28.815 10.647 7.670 1.00 32.92 C ATOM 1575 CG ASP A 105 28.098 11.703 8.483 1.00 33.34 C ATOM 1576 OD1 ASP A 105 27.825 12.789 7.930 1.00 33.66 O ATOM 1577 OD2 ASP A 105 27.816 11.456 9.671 1.00 33.43 O ATOM 0 H ASP A 105 29.174 8.382 6.780 1.00 32.44 H new ATOM 0 HA ASP A 105 26.889 10.086 6.906 1.00 33.10 H new ATOM 0 HB2 ASP A 105 29.158 9.853 8.333 1.00 32.92 H new ATOM 0 HB3 ASP A 105 29.702 11.085 7.212 1.00 32.92 H new ATOM 1582 N ASP A 106 27.563 12.079 5.309 1.00 34.21 N ATOM 1583 CA ASP A 106 27.529 12.906 4.113 1.00 34.91 C ATOM 1584 C ASP A 106 28.944 13.328 3.718 1.00 35.10 C ATOM 1585 O ASP A 106 29.331 13.221 2.552 1.00 35.16 O ATOM 1586 CB ASP A 106 26.652 14.136 4.352 1.00 35.27 C ATOM 1587 CG ASP A 106 26.249 14.824 3.063 1.00 35.62 C ATOM 1588 OD1 ASP A 106 25.203 14.463 2.491 1.00 35.89 O ATOM 1589 OD2 ASP A 106 26.987 15.729 2.614 1.00 35.68 O ATOM 0 H ASP A 106 27.168 12.522 6.139 1.00 34.21 H new ATOM 0 HA ASP A 106 27.102 12.325 3.295 1.00 34.91 H new ATOM 0 HB2 ASP A 106 25.756 13.838 4.896 1.00 35.27 H new ATOM 0 HB3 ASP A 106 27.189 14.843 4.984 1.00 35.27 H new ATOM 1594 N LEU A 107 29.708 13.800 4.706 1.00 35.27 N ATOM 1595 CA LEU A 107 31.114 14.158 4.507 1.00 35.52 C ATOM 1596 C LEU A 107 31.815 14.412 5.843 1.00 35.58 C ATOM 1597 O LEU A 107 33.038 14.580 5.896 1.00 35.79 O ATOM 1598 CB LEU A 107 31.248 15.383 3.577 1.00 36.22 C ATOM 1599 CG LEU A 107 30.368 16.601 3.909 1.00 36.57 C ATOM 1600 CD1 LEU A 107 30.925 17.389 5.084 1.00 36.81 C ATOM 1601 CD2 LEU A 107 30.229 17.494 2.688 1.00 36.78 C ATOM 0 H LEU A 107 29.373 13.944 5.659 1.00 35.27 H new ATOM 0 HA LEU A 107 31.605 13.312 4.026 1.00 35.52 H new ATOM 0 HB2 LEU A 107 32.290 15.704 3.584 1.00 36.22 H new ATOM 0 HB3 LEU A 107 31.019 15.065 2.560 1.00 36.22 H new ATOM 0 HG LEU A 107 29.382 16.235 4.196 1.00 36.57 H new ATOM 0 HD11 LEU A 107 30.278 18.242 5.290 1.00 36.81 H new ATOM 0 HD12 LEU A 107 30.970 16.747 5.964 1.00 36.81 H new ATOM 0 HD13 LEU A 107 31.927 17.744 4.842 1.00 36.81 H new ATOM 0 HD21 LEU A 107 29.604 18.353 2.934 1.00 36.78 H new ATOM 0 HD22 LEU A 107 31.214 17.840 2.376 1.00 36.78 H new ATOM 0 HD23 LEU A 107 29.768 16.931 1.876 1.00 36.78 H new ATOM 1613 N SER A 108 31.042 14.432 6.922 1.00 35.45 N ATOM 1614 CA SER A 108 31.583 14.714 8.242 1.00 35.56 C ATOM 1615 C SER A 108 32.192 13.458 8.867 1.00 34.99 C ATOM 1616 O SER A 108 31.602 12.824 9.744 1.00 35.21 O ATOM 1617 CB SER A 108 30.488 15.289 9.140 1.00 35.92 C ATOM 1618 OG SER A 108 29.854 16.391 8.510 1.00 36.22 O ATOM 0 H SER A 108 30.037 14.256 6.907 1.00 35.45 H new ATOM 0 HA SER A 108 32.379 15.451 8.140 1.00 35.56 H new ATOM 0 HB2 SER A 108 29.751 14.518 9.364 1.00 35.92 H new ATOM 0 HB3 SER A 108 30.918 15.604 10.091 1.00 35.92 H new ATOM 0 HG SER A 108 29.155 16.746 9.098 1.00 36.22 H new ATOM 1624 N VAL A 109 33.370 13.095 8.385 1.00 34.34 N ATOM 1625 CA VAL A 109 34.096 11.948 8.901 1.00 33.84 C ATOM 1626 C VAL A 109 35.589 12.268 9.006 1.00 33.57 C ATOM 1627 O VAL A 109 36.099 12.332 10.143 1.00 33.71 O ATOM 1628 CB VAL A 109 33.861 10.682 8.033 1.00 33.11 C ATOM 1629 CG1 VAL A 109 34.137 10.945 6.557 1.00 32.97 C ATOM 1630 CG2 VAL A 109 34.700 9.521 8.548 1.00 33.19 C ATOM 1631 OXT VAL A 109 36.223 12.521 7.965 1.00 33.28 O ATOM 0 H VAL A 109 33.847 13.585 7.628 1.00 34.34 H new ATOM 0 HA VAL A 109 33.714 11.731 9.898 1.00 33.84 H new ATOM 0 HB VAL A 109 32.808 10.414 8.118 1.00 33.11 H new ATOM 0 HG11 VAL A 109 33.960 10.034 5.986 1.00 32.97 H new ATOM 0 HG12 VAL A 109 33.475 11.732 6.198 1.00 32.97 H new ATOM 0 HG13 VAL A 109 35.174 11.257 6.431 1.00 32.97 H new ATOM 0 HG21 VAL A 109 34.523 8.642 7.929 1.00 33.19 H new ATOM 0 HG22 VAL A 109 35.756 9.788 8.506 1.00 33.19 H new ATOM 0 HG23 VAL A 109 34.422 9.300 9.579 1.00 33.19 H new TER 1641 VAL A 109