USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 612 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 53 GLN : amide:sc= 0.408 K(o=1.6,f=-1.3) USER MOD Set 1.2: A 73 THR OG1 : rot 102:sc= 1.24 USER MOD Set 2.1: A 39 LYS NZ :NH3+ 176:sc= 1.2 (180deg=-0.0145) USER MOD Set 2.2: A 72 GLN : amide:sc= -0.88! C(o=0.32!,f=-17!) USER MOD Set 3.1: A 34 ASN : amide:sc= -0.513 K(o=-0.04,f=-9.1!) USER MOD Set 3.2: A 35 HIS : no HE2:sc= 0.473 K(o=-0.04,f=-4.7!) USER MOD Set 4.1: A 28 SER OG : rot 22:sc= 0.013 USER MOD Set 4.2: A 33 ASN : amide:sc= 0.231 K(o=0.24,f=-2.1!) USER MOD Set 4.3: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.3) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.0914 K(o=0.091,f=-3.4!) USER MOD Single : A 17 ASN : amide:sc= -1.88! C(o=-1.9!,f=-1.6!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -140:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0965 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -2.29! C(o=-2.3!,f=-6.4!) USER MOD Single : A 46 GLN : amide:sc= -0.0298 K(o=-0.03,f=-1.3!) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 1.16 (180deg=0.983) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0543 USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.0346 (180deg=-0.334) USER MOD Single : A 54 HIS : no HE2:sc= -0.0396 K(o=-0.04,f=-5.3!) USER MOD Single : A 56 MET CE :methyl -162:sc= -0.148 (180deg=-0.648) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.53 K(o=-1.5,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.101 K(o=-0.1,f=-11!) USER MOD Single : A 75 CYS SG : rot -27:sc= -0.331 USER MOD Single : A 76 LYS NZ :NH3+ -135:sc= -1.68! (180deg=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -11.012 -8.013 1.789 1.00 72.44 N ATOM 2 CA PRO A 1 -10.379 -7.008 2.669 1.00 63.23 C ATOM 3 C PRO A 1 -9.169 -6.385 1.983 1.00 50.34 C ATOM 4 O PRO A 1 -8.295 -7.100 1.493 1.00 54.34 O ATOM 5 CB PRO A 1 -9.954 -7.692 3.959 1.00 35.02 C ATOM 6 CG PRO A 1 -10.344 -9.121 3.754 1.00 24.21 C ATOM 7 CD PRO A 1 -10.514 -9.313 2.263 1.00 63.42 C ATOM 0 H2 PRO A 1 -10.762 -7.857 0.813 1.00 72.44 H new ATOM 0 H3 PRO A 1 -12.029 -7.965 1.848 1.00 72.44 H new ATOM 0 HA PRO A 1 -11.091 -6.212 2.887 1.00 63.23 H new ATOM 0 HB2 PRO A 1 -8.882 -7.591 4.130 1.00 35.02 H new ATOM 0 HB3 PRO A 1 -10.457 -7.261 4.824 1.00 35.02 H new ATOM 0 HG2 PRO A 1 -9.579 -9.791 4.146 1.00 24.21 H new ATOM 0 HG3 PRO A 1 -11.270 -9.350 4.282 1.00 24.21 H new ATOM 0 HD2 PRO A 1 -9.571 -9.577 1.785 1.00 63.42 H new ATOM 0 HD3 PRO A 1 -11.219 -10.115 2.042 1.00 63.42 H new ATOM 17 N GLY A 2 -9.117 -5.057 1.958 1.00 35.53 N ATOM 18 CA GLY A 2 -8.037 -4.368 1.269 1.00 24.52 C ATOM 19 C GLY A 2 -8.088 -4.605 -0.228 1.00 1.40 C ATOM 20 O GLY A 2 -7.425 -5.504 -0.747 1.00 22.44 O ATOM 0 H GLY A 2 -9.802 -4.445 2.401 1.00 35.53 H new ATOM 0 HA2 GLY A 2 -8.100 -3.299 1.471 1.00 24.52 H new ATOM 0 HA3 GLY A 2 -7.079 -4.710 1.660 1.00 24.52 H new ATOM 24 N SER A 3 -8.871 -3.802 -0.926 1.00 10.13 N ATOM 25 CA SER A 3 -9.100 -4.024 -2.339 1.00 12.40 C ATOM 26 C SER A 3 -8.133 -3.215 -3.202 1.00 50.22 C ATOM 27 O SER A 3 -8.430 -2.085 -3.602 1.00 24.11 O ATOM 28 CB SER A 3 -10.546 -3.677 -2.693 1.00 44.31 C ATOM 29 OG SER A 3 -11.452 -4.348 -1.830 1.00 54.01 O ATOM 0 H SER A 3 -9.357 -2.994 -0.538 1.00 10.13 H new ATOM 0 HA SER A 3 -8.920 -5.079 -2.547 1.00 12.40 H new ATOM 0 HB2 SER A 3 -10.695 -2.600 -2.617 1.00 44.31 H new ATOM 0 HB3 SER A 3 -10.749 -3.955 -3.727 1.00 44.31 H new ATOM 0 HG SER A 3 -12.371 -4.111 -2.073 1.00 54.01 H new ATOM 35 N MET A 4 -6.955 -3.780 -3.451 1.00 64.30 N ATOM 36 CA MET A 4 -6.027 -3.204 -4.417 1.00 73.21 C ATOM 37 C MET A 4 -6.482 -3.570 -5.822 1.00 42.35 C ATOM 38 O MET A 4 -6.179 -2.879 -6.797 1.00 54.24 O ATOM 39 CB MET A 4 -4.594 -3.707 -4.197 1.00 72.52 C ATOM 40 CG MET A 4 -3.952 -3.250 -2.894 1.00 21.33 C ATOM 41 SD MET A 4 -4.643 -4.058 -1.437 1.00 14.12 S ATOM 42 CE MET A 4 -3.595 -3.381 -0.152 1.00 12.30 C ATOM 0 H MET A 4 -6.622 -4.632 -2.999 1.00 64.30 H new ATOM 0 HA MET A 4 -6.025 -2.122 -4.285 1.00 73.21 H new ATOM 0 HB2 MET A 4 -4.598 -4.797 -4.221 1.00 72.52 H new ATOM 0 HB3 MET A 4 -3.974 -3.372 -5.029 1.00 72.52 H new ATOM 0 HG2 MET A 4 -2.881 -3.447 -2.936 1.00 21.33 H new ATOM 0 HG3 MET A 4 -4.074 -2.171 -2.795 1.00 21.33 H new ATOM 0 HE1 MET A 4 -3.897 -3.785 0.814 1.00 12.30 H new ATOM 0 HE2 MET A 4 -2.557 -3.649 -0.350 1.00 12.30 H new ATOM 0 HE3 MET A 4 -3.692 -2.295 -0.137 1.00 12.30 H new ATOM 52 N THR A 5 -7.215 -4.672 -5.903 1.00 5.32 N ATOM 53 CA THR A 5 -7.766 -5.154 -7.154 1.00 22.53 C ATOM 54 C THR A 5 -8.786 -4.161 -7.711 1.00 65.22 C ATOM 55 O THR A 5 -9.617 -3.631 -6.970 1.00 62.04 O ATOM 56 CB THR A 5 -8.450 -6.519 -6.943 1.00 42.10 C ATOM 57 OG1 THR A 5 -7.641 -7.340 -6.086 1.00 71.41 O ATOM 58 CG2 THR A 5 -8.664 -7.229 -8.272 1.00 53.01 C ATOM 0 H THR A 5 -7.443 -5.256 -5.098 1.00 5.32 H new ATOM 0 HA THR A 5 -6.948 -5.262 -7.866 1.00 22.53 H new ATOM 0 HB THR A 5 -9.422 -6.348 -6.479 1.00 42.10 H new ATOM 0 HG1 THR A 5 -8.080 -8.206 -5.953 1.00 71.41 H new ATOM 0 HG21 THR A 5 -9.148 -8.190 -8.097 1.00 53.01 H new ATOM 0 HG22 THR A 5 -9.296 -6.616 -8.914 1.00 53.01 H new ATOM 0 HG23 THR A 5 -7.701 -7.391 -8.757 1.00 53.01 H new ATOM 66 N VAL A 6 -8.707 -3.896 -9.007 1.00 4.20 N ATOM 67 CA VAL A 6 -9.681 -3.039 -9.663 1.00 13.52 C ATOM 68 C VAL A 6 -10.877 -3.879 -10.107 1.00 40.55 C ATOM 69 O VAL A 6 -10.712 -5.005 -10.582 1.00 4.41 O ATOM 70 CB VAL A 6 -9.061 -2.291 -10.870 1.00 75.41 C ATOM 71 CG1 VAL A 6 -8.538 -3.267 -11.911 1.00 44.14 C ATOM 72 CG2 VAL A 6 -10.068 -1.330 -11.490 1.00 12.15 C ATOM 0 H VAL A 6 -7.980 -4.261 -9.623 1.00 4.20 H new ATOM 0 HA VAL A 6 -10.012 -2.283 -8.951 1.00 13.52 H new ATOM 0 HB VAL A 6 -8.216 -1.709 -10.501 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -8.109 -2.713 -12.746 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -7.772 -3.900 -11.464 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -9.358 -3.889 -12.271 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -9.609 -0.817 -12.335 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -10.939 -1.888 -11.834 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -10.377 -0.597 -10.745 1.00 12.15 H new ATOM 82 N THR A 7 -12.076 -3.352 -9.921 1.00 31.41 N ATOM 83 CA THR A 7 -13.283 -4.096 -10.226 1.00 35.31 C ATOM 84 C THR A 7 -13.843 -3.718 -11.591 1.00 31.42 C ATOM 85 O THR A 7 -13.540 -2.654 -12.131 1.00 72.04 O ATOM 86 CB THR A 7 -14.360 -3.848 -9.152 1.00 54.51 C ATOM 87 OG1 THR A 7 -14.567 -2.437 -8.984 1.00 5.41 O ATOM 88 CG2 THR A 7 -13.956 -4.468 -7.823 1.00 10.33 C ATOM 0 H THR A 7 -12.238 -2.412 -9.560 1.00 31.41 H new ATOM 0 HA THR A 7 -13.015 -5.152 -10.239 1.00 35.31 H new ATOM 0 HB THR A 7 -15.287 -4.316 -9.484 1.00 54.51 H new ATOM 0 HG1 THR A 7 -15.254 -2.286 -8.301 1.00 5.41 H new ATOM 0 HG21 THR A 7 -14.733 -4.279 -7.082 1.00 10.33 H new ATOM 0 HG22 THR A 7 -13.827 -5.543 -7.947 1.00 10.33 H new ATOM 0 HG23 THR A 7 -13.018 -4.027 -7.486 1.00 10.33 H new ATOM 96 N GLN A 8 -14.655 -4.607 -12.143 1.00 3.23 N ATOM 97 CA GLN A 8 -15.387 -4.317 -13.361 1.00 50.02 C ATOM 98 C GLN A 8 -16.811 -3.936 -12.997 1.00 1.14 C ATOM 99 O GLN A 8 -17.652 -4.801 -12.711 1.00 72.35 O ATOM 100 CB GLN A 8 -15.365 -5.516 -14.307 1.00 43.14 C ATOM 101 CG GLN A 8 -13.976 -5.840 -14.838 1.00 33.25 C ATOM 102 CD GLN A 8 -13.419 -4.744 -15.724 1.00 53.30 C ATOM 103 OE1 GLN A 8 -12.773 -3.809 -15.252 1.00 54.41 O ATOM 104 NE2 GLN A 8 -13.666 -4.854 -17.017 1.00 54.35 N ATOM 0 H GLN A 8 -14.822 -5.539 -11.763 1.00 3.23 H new ATOM 0 HA GLN A 8 -14.913 -3.486 -13.882 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -15.759 -6.388 -13.786 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -16.031 -5.319 -15.147 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -13.299 -6.002 -13.999 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -14.015 -6.772 -15.401 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -14.206 -5.645 -17.368 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -13.317 -4.148 -17.665 1.00 54.35 H new ATOM 113 N SER A 9 -17.055 -2.635 -12.986 1.00 52.14 N ATOM 114 CA SER A 9 -18.302 -2.079 -12.487 1.00 2.52 C ATOM 115 C SER A 9 -19.510 -2.688 -13.191 1.00 0.31 C ATOM 116 O SER A 9 -20.519 -2.963 -12.551 1.00 54.11 O ATOM 117 CB SER A 9 -18.302 -0.557 -12.650 1.00 33.54 C ATOM 118 OG SER A 9 -19.380 0.036 -11.946 1.00 75.12 O ATOM 0 H SER A 9 -16.394 -1.935 -13.323 1.00 52.14 H new ATOM 0 HA SER A 9 -18.378 -2.326 -11.428 1.00 2.52 H new ATOM 0 HB2 SER A 9 -17.359 -0.150 -12.285 1.00 33.54 H new ATOM 0 HB3 SER A 9 -18.371 -0.302 -13.708 1.00 33.54 H new ATOM 0 HG SER A 9 -19.354 1.008 -12.067 1.00 75.12 H new ATOM 124 N GLN A 10 -19.396 -2.929 -14.494 1.00 65.43 N ATOM 125 CA GLN A 10 -20.521 -3.451 -15.267 1.00 50.30 C ATOM 126 C GLN A 10 -20.993 -4.794 -14.718 1.00 24.22 C ATOM 127 O GLN A 10 -22.172 -4.963 -14.414 1.00 13.03 O ATOM 128 CB GLN A 10 -20.166 -3.608 -16.747 1.00 3.51 C ATOM 129 CG GLN A 10 -19.431 -2.419 -17.339 1.00 31.21 C ATOM 130 CD GLN A 10 -17.928 -2.611 -17.333 1.00 30.13 C ATOM 131 OE1 GLN A 10 -17.244 -2.261 -16.369 1.00 43.14 O ATOM 132 NE2 GLN A 10 -17.403 -3.170 -18.412 1.00 21.05 N ATOM 0 H GLN A 10 -18.545 -2.773 -15.034 1.00 65.43 H new ATOM 0 HA GLN A 10 -21.327 -2.723 -15.176 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -19.550 -4.499 -16.869 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -21.082 -3.774 -17.314 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -19.770 -2.258 -18.362 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -19.683 -1.521 -16.774 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -18.005 -3.445 -19.188 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -16.396 -3.326 -18.467 1.00 21.05 H new ATOM 141 N LEU A 11 -20.075 -5.751 -14.591 1.00 1.21 N ATOM 142 CA LEU A 11 -20.444 -7.085 -14.129 1.00 12.41 C ATOM 143 C LEU A 11 -20.792 -7.083 -12.642 1.00 54.11 C ATOM 144 O LEU A 11 -21.663 -7.835 -12.210 1.00 71.13 O ATOM 145 CB LEU A 11 -19.359 -8.128 -14.468 1.00 53.43 C ATOM 146 CG LEU A 11 -17.948 -7.883 -13.912 1.00 4.24 C ATOM 147 CD1 LEU A 11 -17.832 -8.336 -12.462 1.00 55.21 C ATOM 148 CD2 LEU A 11 -16.919 -8.603 -14.768 1.00 61.15 C ATOM 0 H LEU A 11 -19.084 -5.629 -14.799 1.00 1.21 H new ATOM 0 HA LEU A 11 -21.343 -7.381 -14.669 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -19.700 -9.099 -14.107 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -19.286 -8.199 -15.553 1.00 53.43 H new ATOM 0 HG LEU A 11 -17.757 -6.810 -13.943 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -16.821 -8.148 -12.102 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -18.544 -7.783 -11.850 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -18.048 -9.402 -12.396 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -15.922 -8.424 -14.366 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -17.125 -9.673 -14.762 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -16.971 -8.229 -15.791 1.00 61.15 H new ATOM 160 N GLU A 12 -20.124 -6.233 -11.862 1.00 14.13 N ATOM 161 CA GLU A 12 -20.436 -6.121 -10.442 1.00 13.33 C ATOM 162 C GLU A 12 -21.851 -5.571 -10.264 1.00 23.45 C ATOM 163 O GLU A 12 -22.674 -6.147 -9.544 1.00 35.24 O ATOM 164 CB GLU A 12 -19.410 -5.225 -9.741 1.00 72.23 C ATOM 165 CG GLU A 12 -19.458 -5.320 -8.228 1.00 2.41 C ATOM 166 CD GLU A 12 -19.980 -4.060 -7.568 1.00 74.31 C ATOM 167 OE1 GLU A 12 -21.190 -3.787 -7.657 1.00 33.12 O ATOM 168 OE2 GLU A 12 -19.172 -3.331 -6.949 1.00 23.41 O ATOM 0 H GLU A 12 -19.375 -5.621 -12.185 1.00 14.13 H new ATOM 0 HA GLU A 12 -20.388 -7.110 -9.986 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -18.411 -5.494 -10.083 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -19.580 -4.190 -10.038 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -20.090 -6.161 -7.943 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -18.457 -5.532 -7.852 1.00 2.41 H new ATOM 175 N LEU A 13 -22.129 -4.477 -10.963 1.00 24.43 N ATOM 176 CA LEU A 13 -23.445 -3.857 -10.958 1.00 1.43 C ATOM 177 C LEU A 13 -24.501 -4.827 -11.479 1.00 31.21 C ATOM 178 O LEU A 13 -25.632 -4.846 -10.990 1.00 4.34 O ATOM 179 CB LEU A 13 -23.404 -2.571 -11.802 1.00 73.45 C ATOM 180 CG LEU A 13 -24.752 -1.964 -12.196 1.00 63.21 C ATOM 181 CD1 LEU A 13 -24.675 -0.445 -12.168 1.00 44.11 C ATOM 182 CD2 LEU A 13 -25.159 -2.437 -13.588 1.00 50.21 C ATOM 0 H LEU A 13 -21.447 -3.996 -11.549 1.00 24.43 H new ATOM 0 HA LEU A 13 -23.719 -3.598 -9.935 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -22.841 -1.819 -11.249 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -22.846 -2.780 -12.714 1.00 73.45 H new ATOM 0 HG LEU A 13 -25.503 -2.293 -11.477 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -25.641 -0.026 -12.450 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -24.415 -0.112 -11.163 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -23.913 -0.106 -12.870 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -26.120 -1.997 -13.855 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -24.405 -2.129 -14.312 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -25.243 -3.524 -13.593 1.00 50.21 H new ATOM 194 N LEU A 14 -24.123 -5.632 -12.463 1.00 72.01 N ATOM 195 CA LEU A 14 -25.022 -6.625 -13.035 1.00 3.52 C ATOM 196 C LEU A 14 -25.482 -7.604 -11.956 1.00 71.02 C ATOM 197 O LEU A 14 -26.679 -7.828 -11.787 1.00 70.32 O ATOM 198 CB LEU A 14 -24.320 -7.362 -14.190 1.00 33.20 C ATOM 199 CG LEU A 14 -25.207 -8.244 -15.089 1.00 40.12 C ATOM 200 CD1 LEU A 14 -25.543 -9.571 -14.419 1.00 54.01 C ATOM 201 CD2 LEU A 14 -26.483 -7.504 -15.472 1.00 11.21 C ATOM 0 H LEU A 14 -23.194 -5.616 -12.884 1.00 72.01 H new ATOM 0 HA LEU A 14 -25.905 -6.125 -13.434 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -23.830 -6.619 -14.819 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -23.535 -7.989 -13.766 1.00 33.20 H new ATOM 0 HG LEU A 14 -24.642 -8.464 -15.995 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -26.170 -10.166 -15.083 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -24.622 -10.114 -14.206 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -26.077 -9.383 -13.488 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -27.097 -8.142 -16.107 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -27.039 -7.247 -14.570 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -26.227 -6.593 -16.013 1.00 11.21 H new ATOM 213 N ILE A 15 -24.529 -8.161 -11.215 1.00 13.25 N ATOM 214 CA ILE A 15 -24.842 -9.114 -10.156 1.00 24.23 C ATOM 215 C ILE A 15 -25.685 -8.450 -9.070 1.00 61.32 C ATOM 216 O ILE A 15 -26.685 -9.005 -8.616 1.00 75.31 O ATOM 217 CB ILE A 15 -23.558 -9.693 -9.518 1.00 33.14 C ATOM 218 CG1 ILE A 15 -22.668 -10.344 -10.584 1.00 70.34 C ATOM 219 CG2 ILE A 15 -23.907 -10.701 -8.429 1.00 52.02 C ATOM 220 CD1 ILE A 15 -23.339 -11.470 -11.343 1.00 63.52 C ATOM 0 H ILE A 15 -23.534 -7.969 -11.328 1.00 13.25 H new ATOM 0 HA ILE A 15 -25.405 -9.929 -10.610 1.00 24.23 H new ATOM 0 HB ILE A 15 -23.005 -8.871 -9.064 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -22.351 -9.580 -11.294 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -21.767 -10.728 -10.105 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -22.990 -11.097 -7.992 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.495 -10.210 -7.654 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -24.485 -11.518 -8.861 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -22.645 -11.878 -12.078 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -23.632 -12.255 -10.646 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -24.224 -11.089 -11.852 1.00 63.52 H new ATOM 232 N ARG A 16 -25.284 -7.244 -8.687 1.00 32.24 N ATOM 233 CA ARG A 16 -25.951 -6.507 -7.619 1.00 15.30 C ATOM 234 C ARG A 16 -27.393 -6.159 -7.995 1.00 74.23 C ATOM 235 O ARG A 16 -28.290 -6.192 -7.153 1.00 15.23 O ATOM 236 CB ARG A 16 -25.171 -5.227 -7.308 1.00 23.14 C ATOM 237 CG ARG A 16 -25.642 -4.499 -6.059 1.00 71.35 C ATOM 238 CD ARG A 16 -25.383 -5.315 -4.804 1.00 63.11 C ATOM 239 NE ARG A 16 -25.474 -4.495 -3.596 1.00 73.55 N ATOM 240 CZ ARG A 16 -26.357 -4.695 -2.619 1.00 72.42 C ATOM 241 NH1 ARG A 16 -27.230 -5.688 -2.704 1.00 4.32 N ATOM 242 NH2 ARG A 16 -26.361 -3.898 -1.555 1.00 75.13 N ATOM 0 H ARG A 16 -24.494 -6.752 -9.104 1.00 32.24 H new ATOM 0 HA ARG A 16 -25.979 -7.144 -6.735 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -24.116 -5.476 -7.194 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -25.248 -4.551 -8.160 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -25.130 -3.540 -5.982 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -26.708 -4.286 -6.142 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -26.104 -6.130 -4.745 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -24.393 -5.768 -4.862 1.00 63.11 H new ATOM 0 HE ARG A 16 -24.819 -3.720 -3.495 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -27.227 -6.301 -3.519 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -27.905 -5.839 -1.954 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -25.688 -3.134 -1.487 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -27.037 -4.050 -0.806 1.00 75.13 H new ATOM 256 N ASN A 17 -27.610 -5.825 -9.261 1.00 21.01 N ATOM 257 CA ASN A 17 -28.942 -5.459 -9.732 1.00 71.44 C ATOM 258 C ASN A 17 -29.783 -6.693 -10.010 1.00 24.13 C ATOM 259 O ASN A 17 -30.997 -6.685 -9.797 1.00 64.41 O ATOM 260 CB ASN A 17 -28.861 -4.578 -10.982 1.00 22.11 C ATOM 261 CG ASN A 17 -28.621 -3.120 -10.645 1.00 54.33 C ATOM 262 OD1 ASN A 17 -29.563 -2.344 -10.485 1.00 70.12 O ATOM 263 ND2 ASN A 17 -27.362 -2.733 -10.531 1.00 64.22 N ATOM 0 H ASN A 17 -26.885 -5.800 -9.978 1.00 21.01 H new ATOM 0 HA ASN A 17 -29.425 -4.887 -8.939 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -28.057 -4.937 -11.625 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -29.788 -4.670 -11.549 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -27.145 -1.763 -10.303 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -26.607 -3.405 -10.671 1.00 64.22 H new ATOM 270 N ALA A 18 -29.144 -7.750 -10.485 1.00 24.13 N ATOM 271 CA ALA A 18 -29.837 -9.002 -10.728 1.00 52.44 C ATOM 272 C ALA A 18 -30.277 -9.627 -9.413 1.00 63.32 C ATOM 273 O ALA A 18 -31.405 -10.101 -9.288 1.00 53.11 O ATOM 274 CB ALA A 18 -28.957 -9.966 -11.508 1.00 44.34 C ATOM 0 H ALA A 18 -28.149 -7.765 -10.709 1.00 24.13 H new ATOM 0 HA ALA A 18 -30.723 -8.791 -11.327 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -29.498 -10.897 -11.678 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -28.691 -9.521 -12.467 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -28.050 -10.172 -10.939 1.00 44.34 H new ATOM 280 N PHE A 19 -29.385 -9.615 -8.430 1.00 32.44 N ATOM 281 CA PHE A 19 -29.688 -10.171 -7.122 1.00 64.45 C ATOM 282 C PHE A 19 -29.329 -9.178 -6.023 1.00 11.13 C ATOM 283 O PHE A 19 -28.155 -8.981 -5.711 1.00 74.13 O ATOM 284 CB PHE A 19 -28.927 -11.484 -6.902 1.00 5.30 C ATOM 285 CG PHE A 19 -29.222 -12.535 -7.934 1.00 32.32 C ATOM 286 CD1 PHE A 19 -30.412 -13.246 -7.896 1.00 44.11 C ATOM 287 CD2 PHE A 19 -28.311 -12.812 -8.940 1.00 21.44 C ATOM 288 CE1 PHE A 19 -30.685 -14.212 -8.845 1.00 53.12 C ATOM 289 CE2 PHE A 19 -28.581 -13.776 -9.893 1.00 21.41 C ATOM 290 CZ PHE A 19 -29.768 -14.478 -9.846 1.00 4.25 C ATOM 0 H PHE A 19 -28.446 -9.226 -8.516 1.00 32.44 H new ATOM 0 HA PHE A 19 -30.758 -10.374 -7.082 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -27.857 -11.277 -6.903 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -29.175 -11.876 -5.916 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -31.132 -13.043 -7.117 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -27.379 -12.268 -8.980 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -31.615 -14.760 -8.805 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -27.863 -13.980 -10.674 1.00 21.41 H new ATOM 0 HZ PHE A 19 -29.981 -15.233 -10.589 1.00 4.25 H new ATOM 300 N PRO A 20 -30.336 -8.528 -5.421 1.00 74.32 N ATOM 301 CA PRO A 20 -30.122 -7.572 -4.329 1.00 62.04 C ATOM 302 C PRO A 20 -29.650 -8.262 -3.050 1.00 53.13 C ATOM 303 O PRO A 20 -29.178 -7.617 -2.117 1.00 3.14 O ATOM 304 CB PRO A 20 -31.506 -6.938 -4.117 1.00 73.25 C ATOM 305 CG PRO A 20 -32.309 -7.328 -5.313 1.00 43.34 C ATOM 306 CD PRO A 20 -31.759 -8.648 -5.765 1.00 54.10 C ATOM 0 HA PRO A 20 -29.346 -6.846 -4.572 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -31.968 -7.301 -3.199 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -31.432 -5.854 -4.030 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -33.367 -7.411 -5.063 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -32.225 -6.579 -6.101 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -32.233 -9.484 -5.250 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -31.907 -8.806 -6.833 1.00 54.10 H new ATOM 314 N GLU A 21 -29.774 -9.582 -3.029 1.00 43.25 N ATOM 315 CA GLU A 21 -29.359 -10.376 -1.881 1.00 14.45 C ATOM 316 C GLU A 21 -27.979 -10.980 -2.129 1.00 61.52 C ATOM 317 O GLU A 21 -27.560 -11.915 -1.445 1.00 44.12 O ATOM 318 CB GLU A 21 -30.375 -11.493 -1.624 1.00 73.54 C ATOM 319 CG GLU A 21 -31.817 -11.016 -1.556 1.00 25.00 C ATOM 320 CD GLU A 21 -32.071 -10.063 -0.408 1.00 21.25 C ATOM 321 OE1 GLU A 21 -31.785 -8.857 -0.550 1.00 31.02 O ATOM 322 OE2 GLU A 21 -32.579 -10.512 0.637 1.00 2.14 O ATOM 0 H GLU A 21 -30.161 -10.128 -3.799 1.00 43.25 H new ATOM 0 HA GLU A 21 -29.309 -9.728 -1.006 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -30.287 -12.239 -2.414 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -30.123 -11.990 -0.687 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -32.076 -10.524 -2.494 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -32.475 -11.879 -1.457 1.00 25.00 H new ATOM 329 N ALA A 22 -27.276 -10.437 -3.114 1.00 13.31 N ATOM 330 CA ALA A 22 -25.979 -10.965 -3.504 1.00 45.34 C ATOM 331 C ALA A 22 -24.841 -10.093 -2.997 1.00 74.40 C ATOM 332 O ALA A 22 -24.842 -8.877 -3.177 1.00 53.45 O ATOM 333 CB ALA A 22 -25.895 -11.098 -5.016 1.00 43.43 C ATOM 0 H ALA A 22 -27.584 -9.630 -3.657 1.00 13.31 H new ATOM 0 HA ALA A 22 -25.876 -11.950 -3.048 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -24.918 -11.495 -5.293 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -26.674 -11.776 -5.365 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -26.033 -10.119 -5.476 1.00 43.43 H new ATOM 339 N GLU A 23 -23.881 -10.735 -2.354 1.00 31.23 N ATOM 340 CA GLU A 23 -22.648 -10.085 -1.954 1.00 5.24 C ATOM 341 C GLU A 23 -21.556 -10.434 -2.954 1.00 11.04 C ATOM 342 O GLU A 23 -21.214 -11.606 -3.124 1.00 5.32 O ATOM 343 CB GLU A 23 -22.244 -10.538 -0.548 1.00 2.23 C ATOM 344 CG GLU A 23 -20.951 -9.918 -0.042 1.00 32.11 C ATOM 345 CD GLU A 23 -20.595 -10.377 1.357 1.00 53.32 C ATOM 346 OE1 GLU A 23 -21.141 -9.811 2.329 1.00 74.04 O ATOM 347 OE2 GLU A 23 -19.768 -11.303 1.493 1.00 2.10 O ATOM 0 H GLU A 23 -23.935 -11.720 -2.095 1.00 31.23 H new ATOM 0 HA GLU A 23 -22.794 -9.005 -1.937 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -23.048 -10.292 0.146 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -22.140 -11.623 -0.544 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -20.139 -10.174 -0.722 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -21.045 -8.832 -0.052 1.00 32.11 H new ATOM 354 N ILE A 24 -21.032 -9.425 -3.630 1.00 13.41 N ATOM 355 CA ILE A 24 -20.011 -9.642 -4.640 1.00 74.24 C ATOM 356 C ILE A 24 -18.627 -9.427 -4.036 1.00 61.32 C ATOM 357 O ILE A 24 -18.257 -8.304 -3.691 1.00 75.31 O ATOM 358 CB ILE A 24 -20.174 -8.696 -5.859 1.00 14.12 C ATOM 359 CG1 ILE A 24 -21.545 -8.860 -6.524 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.074 -8.950 -6.877 1.00 42.15 C ATOM 361 CD1 ILE A 24 -22.668 -8.118 -5.830 1.00 33.11 C ATOM 0 H ILE A 24 -21.297 -8.449 -3.498 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.124 -10.668 -4.989 1.00 74.24 H new ATOM 0 HB ILE A 24 -20.098 -7.673 -5.491 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -21.479 -8.513 -7.555 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -21.794 -9.921 -6.560 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -19.202 -8.279 -7.726 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.103 -8.770 -6.416 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -19.127 -9.983 -7.220 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.602 -8.288 -6.366 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -22.765 -8.480 -4.807 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -22.446 -7.051 -5.818 1.00 33.11 H new ATOM 373 N THR A 25 -17.869 -10.499 -3.894 1.00 14.02 N ATOM 374 CA THR A 25 -16.510 -10.394 -3.397 1.00 54.43 C ATOM 375 C THR A 25 -15.515 -10.849 -4.461 1.00 60.33 C ATOM 376 O THR A 25 -15.425 -12.037 -4.773 1.00 24.53 O ATOM 377 CB THR A 25 -16.314 -11.218 -2.108 1.00 3.22 C ATOM 378 OG1 THR A 25 -17.243 -10.786 -1.107 1.00 13.51 O ATOM 379 CG2 THR A 25 -14.894 -11.077 -1.578 1.00 30.53 C ATOM 0 H THR A 25 -18.170 -11.448 -4.115 1.00 14.02 H new ATOM 0 HA THR A 25 -16.327 -9.346 -3.161 1.00 54.43 H new ATOM 0 HB THR A 25 -16.492 -12.267 -2.347 1.00 3.22 H new ATOM 0 HG1 THR A 25 -17.115 -11.314 -0.292 1.00 13.51 H new ATOM 0 HG21 THR A 25 -14.785 -11.668 -0.669 1.00 30.53 H new ATOM 0 HG22 THR A 25 -14.188 -11.432 -2.329 1.00 30.53 H new ATOM 0 HG23 THR A 25 -14.691 -10.029 -1.356 1.00 30.53 H new ATOM 387 N VAL A 26 -14.787 -9.897 -5.031 1.00 74.44 N ATOM 388 CA VAL A 26 -13.778 -10.210 -6.030 1.00 13.43 C ATOM 389 C VAL A 26 -12.464 -10.594 -5.358 1.00 70.34 C ATOM 390 O VAL A 26 -11.945 -9.869 -4.509 1.00 52.34 O ATOM 391 CB VAL A 26 -13.549 -9.039 -7.012 1.00 24.42 C ATOM 392 CG1 VAL A 26 -14.778 -8.830 -7.882 1.00 41.35 C ATOM 393 CG2 VAL A 26 -13.201 -7.755 -6.270 1.00 35.24 C ATOM 0 H VAL A 26 -14.878 -8.904 -4.818 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.149 -11.057 -6.608 1.00 13.43 H new ATOM 0 HB VAL A 26 -12.704 -9.297 -7.650 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -14.601 -8.002 -8.568 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -14.979 -9.737 -8.452 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -15.636 -8.601 -7.250 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -13.046 -6.950 -6.989 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -14.018 -7.490 -5.599 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -12.290 -7.905 -5.691 1.00 35.24 H new ATOM 403 N THR A 27 -11.946 -11.753 -5.724 1.00 53.51 N ATOM 404 CA THR A 27 -10.731 -12.267 -5.121 1.00 3.34 C ATOM 405 C THR A 27 -9.656 -12.506 -6.174 1.00 43.20 C ATOM 406 O THR A 27 -9.867 -13.241 -7.140 1.00 52.12 O ATOM 407 CB THR A 27 -11.016 -13.582 -4.371 1.00 60.22 C ATOM 408 OG1 THR A 27 -12.160 -13.409 -3.530 1.00 55.14 O ATOM 409 CG2 THR A 27 -9.822 -14.006 -3.526 1.00 63.14 C ATOM 0 H THR A 27 -12.350 -12.358 -6.439 1.00 53.51 H new ATOM 0 HA THR A 27 -10.370 -11.519 -4.415 1.00 3.34 H new ATOM 0 HB THR A 27 -11.206 -14.363 -5.107 1.00 60.22 H new ATOM 0 HG1 THR A 27 -12.010 -13.865 -2.675 1.00 55.14 H new ATOM 0 HG21 THR A 27 -10.054 -14.937 -3.009 1.00 63.14 H new ATOM 0 HG22 THR A 27 -8.955 -14.155 -4.170 1.00 63.14 H new ATOM 0 HG23 THR A 27 -9.601 -13.230 -2.793 1.00 63.14 H new ATOM 417 N SER A 28 -8.512 -11.866 -5.989 1.00 23.54 N ATOM 418 CA SER A 28 -7.372 -12.073 -6.861 1.00 22.03 C ATOM 419 C SER A 28 -6.675 -13.375 -6.476 1.00 14.30 C ATOM 420 O SER A 28 -6.264 -13.548 -5.324 1.00 32.51 O ATOM 421 CB SER A 28 -6.406 -10.889 -6.751 1.00 23.21 C ATOM 422 OG SER A 28 -5.317 -11.022 -7.645 1.00 51.11 O ATOM 0 H SER A 28 -8.350 -11.196 -5.237 1.00 23.54 H new ATOM 0 HA SER A 28 -7.709 -12.143 -7.895 1.00 22.03 H new ATOM 0 HB2 SER A 28 -6.940 -9.962 -6.962 1.00 23.21 H new ATOM 0 HB3 SER A 28 -6.033 -10.817 -5.730 1.00 23.21 H new ATOM 0 HG SER A 28 -5.563 -11.631 -8.372 1.00 51.11 H new ATOM 428 N LEU A 29 -6.564 -14.294 -7.429 1.00 60.25 N ATOM 429 CA LEU A 29 -5.963 -15.600 -7.170 1.00 24.55 C ATOM 430 C LEU A 29 -4.483 -15.461 -6.857 1.00 12.10 C ATOM 431 O LEU A 29 -3.672 -15.208 -7.745 1.00 65.12 O ATOM 432 CB LEU A 29 -6.155 -16.553 -8.359 1.00 52.33 C ATOM 433 CG LEU A 29 -7.521 -17.243 -8.446 1.00 2.03 C ATOM 434 CD1 LEU A 29 -8.635 -16.239 -8.692 1.00 71.35 C ATOM 435 CD2 LEU A 29 -7.509 -18.304 -9.534 1.00 60.32 C ATOM 0 H LEU A 29 -6.882 -14.160 -8.389 1.00 60.25 H new ATOM 0 HA LEU A 29 -6.472 -16.024 -6.304 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -5.993 -15.993 -9.280 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -5.383 -17.321 -8.313 1.00 52.33 H new ATOM 0 HG LEU A 29 -7.715 -17.725 -7.488 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -9.590 -16.762 -8.748 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -8.663 -15.519 -7.874 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -8.452 -15.715 -9.630 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -8.486 -18.785 -9.584 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -7.285 -17.839 -10.494 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -6.748 -19.050 -9.306 1.00 60.32 H new ATOM 447 N VAL A 30 -4.146 -15.614 -5.585 1.00 4.40 N ATOM 448 CA VAL A 30 -2.765 -15.519 -5.141 1.00 1.44 C ATOM 449 C VAL A 30 -1.891 -16.547 -5.862 1.00 64.14 C ATOM 450 O VAL A 30 -2.276 -17.707 -6.022 1.00 15.34 O ATOM 451 CB VAL A 30 -2.656 -15.694 -3.606 1.00 71.32 C ATOM 452 CG1 VAL A 30 -3.234 -17.032 -3.165 1.00 52.04 C ATOM 453 CG2 VAL A 30 -1.215 -15.550 -3.140 1.00 30.41 C ATOM 0 H VAL A 30 -4.815 -15.806 -4.839 1.00 4.40 H new ATOM 0 HA VAL A 30 -2.403 -14.522 -5.392 1.00 1.44 H new ATOM 0 HB VAL A 30 -3.243 -14.902 -3.140 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -3.144 -17.128 -2.083 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -4.285 -17.085 -3.448 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -2.687 -17.842 -3.648 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -1.168 -15.677 -2.058 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -0.599 -16.309 -3.622 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -0.844 -14.560 -3.405 1.00 30.41 H new ATOM 463 N GLY A 31 -0.740 -16.101 -6.333 1.00 42.32 N ATOM 464 CA GLY A 31 0.161 -16.981 -7.043 1.00 63.24 C ATOM 465 C GLY A 31 0.348 -16.555 -8.481 1.00 24.53 C ATOM 466 O GLY A 31 1.417 -16.073 -8.861 1.00 24.33 O ATOM 0 H GLY A 31 -0.412 -15.140 -6.236 1.00 42.32 H new ATOM 0 HA2 GLY A 31 1.128 -16.994 -6.540 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -0.227 -17.999 -7.013 1.00 63.24 H new ATOM 470 N ASP A 32 -0.699 -16.715 -9.276 1.00 54.21 N ATOM 471 CA ASP A 32 -0.646 -16.369 -10.696 1.00 24.22 C ATOM 472 C ASP A 32 -1.576 -15.210 -11.017 1.00 21.34 C ATOM 473 O ASP A 32 -1.221 -14.313 -11.784 1.00 50.54 O ATOM 474 CB ASP A 32 -1.040 -17.566 -11.567 1.00 33.31 C ATOM 475 CG ASP A 32 -0.020 -18.680 -11.548 1.00 63.05 C ATOM 476 OD1 ASP A 32 -0.082 -19.524 -10.636 1.00 1.50 O ATOM 477 OD2 ASP A 32 0.825 -18.729 -12.464 1.00 71.24 O ATOM 0 H ASP A 32 -1.598 -17.082 -8.965 1.00 54.21 H new ATOM 0 HA ASP A 32 0.382 -16.079 -10.913 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -1.999 -17.955 -11.225 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -1.180 -17.229 -12.594 1.00 33.31 H new ATOM 482 N ASN A 33 -2.761 -15.237 -10.412 1.00 11.01 N ATOM 483 CA ASN A 33 -3.851 -14.330 -10.768 1.00 33.31 C ATOM 484 C ASN A 33 -4.216 -14.532 -12.236 1.00 73.15 C ATOM 485 O ASN A 33 -4.410 -13.576 -12.991 1.00 35.41 O ATOM 486 CB ASN A 33 -3.482 -12.865 -10.503 1.00 23.21 C ATOM 487 CG ASN A 33 -4.704 -11.962 -10.475 1.00 63.34 C ATOM 488 OD1 ASN A 33 -5.781 -12.365 -10.031 1.00 61.15 O ATOM 489 ND2 ASN A 33 -4.548 -10.736 -10.944 1.00 30.04 N ATOM 0 H ASN A 33 -2.993 -15.888 -9.662 1.00 11.01 H new ATOM 0 HA ASN A 33 -4.711 -14.563 -10.140 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -2.956 -12.791 -9.551 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -2.795 -12.520 -11.275 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -5.335 -10.087 -10.947 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -3.641 -10.439 -11.303 1.00 30.04 H new ATOM 496 N ASN A 34 -4.295 -15.801 -12.636 1.00 61.41 N ATOM 497 CA ASN A 34 -4.641 -16.159 -14.008 1.00 4.13 C ATOM 498 C ASN A 34 -6.076 -15.745 -14.326 1.00 1.44 C ATOM 499 O ASN A 34 -6.427 -15.495 -15.479 1.00 40.12 O ATOM 500 CB ASN A 34 -4.437 -17.667 -14.244 1.00 53.13 C ATOM 501 CG ASN A 34 -5.198 -18.563 -13.268 1.00 60.20 C ATOM 502 OD1 ASN A 34 -6.294 -18.242 -12.814 1.00 22.32 O ATOM 503 ND2 ASN A 34 -4.612 -19.699 -12.936 1.00 24.41 N ATOM 0 H ASN A 34 -4.123 -16.600 -12.025 1.00 61.41 H new ATOM 0 HA ASN A 34 -3.976 -15.619 -14.682 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -4.748 -17.909 -15.260 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -3.373 -17.894 -14.174 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -5.070 -20.338 -12.286 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -3.702 -19.937 -13.330 1.00 24.41 H new ATOM 510 N HIS A 35 -6.888 -15.666 -13.281 1.00 11.54 N ATOM 511 CA HIS A 35 -8.279 -15.254 -13.391 1.00 21.41 C ATOM 512 C HIS A 35 -8.659 -14.493 -12.132 1.00 54.15 C ATOM 513 O HIS A 35 -7.879 -14.438 -11.183 1.00 54.44 O ATOM 514 CB HIS A 35 -9.211 -16.467 -13.555 1.00 25.33 C ATOM 515 CG HIS A 35 -8.996 -17.259 -14.811 1.00 13.33 C ATOM 516 ND1 HIS A 35 -8.232 -18.405 -14.857 1.00 35.21 N ATOM 517 CD2 HIS A 35 -9.469 -17.076 -16.065 1.00 50.13 C ATOM 518 CE1 HIS A 35 -8.246 -18.891 -16.083 1.00 24.43 C ATOM 519 NE2 HIS A 35 -8.991 -18.105 -16.836 1.00 23.03 N ATOM 0 H HIS A 35 -6.598 -15.887 -12.328 1.00 11.54 H new ATOM 0 HA HIS A 35 -8.390 -14.623 -14.273 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -9.079 -17.128 -12.698 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -10.244 -16.120 -13.533 1.00 25.33 H new ATOM 0 HD1 HIS A 35 -7.734 -18.814 -14.066 1.00 35.21 H new ATOM 0 HD2 HIS A 35 -10.105 -16.269 -16.398 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -7.734 -19.782 -16.414 1.00 24.43 H new ATOM 528 N TYR A 36 -9.844 -13.908 -12.120 1.00 43.33 N ATOM 529 CA TYR A 36 -10.357 -13.257 -10.926 1.00 71.31 C ATOM 530 C TYR A 36 -11.548 -14.041 -10.404 1.00 40.50 C ATOM 531 O TYR A 36 -12.487 -14.314 -11.149 1.00 24.43 O ATOM 532 CB TYR A 36 -10.758 -11.809 -11.224 1.00 22.12 C ATOM 533 CG TYR A 36 -9.606 -10.940 -11.679 1.00 15.02 C ATOM 534 CD1 TYR A 36 -8.830 -10.247 -10.758 1.00 41.21 C ATOM 535 CD2 TYR A 36 -9.298 -10.807 -13.028 1.00 43.30 C ATOM 536 CE1 TYR A 36 -7.778 -9.448 -11.167 1.00 62.32 C ATOM 537 CE2 TYR A 36 -8.247 -10.011 -13.444 1.00 62.54 C ATOM 538 CZ TYR A 36 -7.492 -9.332 -12.511 1.00 1.54 C ATOM 539 OH TYR A 36 -6.445 -8.537 -12.921 1.00 12.31 O ATOM 0 H TYR A 36 -10.470 -13.870 -12.924 1.00 43.33 H new ATOM 0 HA TYR A 36 -9.575 -13.236 -10.167 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -11.530 -11.806 -11.994 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -11.200 -11.372 -10.328 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -9.052 -10.334 -9.705 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -9.889 -11.334 -13.763 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -7.184 -8.918 -10.438 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -8.018 -9.921 -14.496 1.00 62.54 H new ATOM 0 HH TYR A 36 -6.376 -8.565 -13.898 1.00 12.31 H new ATOM 549 N SER A 37 -11.504 -14.406 -9.135 1.00 2.23 N ATOM 550 CA SER A 37 -12.553 -15.215 -8.543 1.00 21.11 C ATOM 551 C SER A 37 -13.676 -14.326 -8.035 1.00 62.15 C ATOM 552 O SER A 37 -13.461 -13.450 -7.196 1.00 50.13 O ATOM 553 CB SER A 37 -11.992 -16.068 -7.399 1.00 62.23 C ATOM 554 OG SER A 37 -12.972 -16.956 -6.885 1.00 63.00 O ATOM 0 H SER A 37 -10.751 -14.154 -8.494 1.00 2.23 H new ATOM 0 HA SER A 37 -12.951 -15.882 -9.308 1.00 21.11 H new ATOM 0 HB2 SER A 37 -11.134 -16.638 -7.755 1.00 62.23 H new ATOM 0 HB3 SER A 37 -11.634 -15.418 -6.601 1.00 62.23 H new ATOM 0 HG SER A 37 -12.584 -17.487 -6.159 1.00 63.00 H new ATOM 560 N ILE A 38 -14.869 -14.545 -8.557 1.00 34.53 N ATOM 561 CA ILE A 38 -16.033 -13.810 -8.113 1.00 12.35 C ATOM 562 C ILE A 38 -16.847 -14.652 -7.135 1.00 21.51 C ATOM 563 O ILE A 38 -17.502 -15.630 -7.512 1.00 24.12 O ATOM 564 CB ILE A 38 -16.909 -13.338 -9.304 1.00 73.40 C ATOM 565 CG1 ILE A 38 -18.188 -12.661 -8.798 1.00 24.33 C ATOM 566 CG2 ILE A 38 -17.237 -14.494 -10.244 1.00 23.22 C ATOM 567 CD1 ILE A 38 -19.064 -12.104 -9.901 1.00 24.22 C ATOM 0 H ILE A 38 -15.055 -15.229 -9.291 1.00 34.53 H new ATOM 0 HA ILE A 38 -15.685 -12.914 -7.599 1.00 12.35 H new ATOM 0 HB ILE A 38 -16.336 -12.605 -9.873 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -18.764 -13.382 -8.219 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -17.916 -11.852 -8.120 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -17.852 -14.130 -11.067 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -16.313 -14.915 -10.640 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -17.782 -15.264 -9.698 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -19.949 -11.641 -9.464 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -18.506 -11.358 -10.467 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -19.368 -12.912 -10.567 1.00 24.22 H new ATOM 579 N LYS A 39 -16.756 -14.295 -5.864 1.00 62.41 N ATOM 580 CA LYS A 39 -17.499 -14.977 -4.821 1.00 70.34 C ATOM 581 C LYS A 39 -18.883 -14.363 -4.710 1.00 25.51 C ATOM 582 O LYS A 39 -19.021 -13.214 -4.280 1.00 73.43 O ATOM 583 CB LYS A 39 -16.769 -14.861 -3.481 1.00 35.52 C ATOM 584 CG LYS A 39 -15.345 -15.395 -3.493 1.00 1.32 C ATOM 585 CD LYS A 39 -14.598 -15.031 -2.213 1.00 0.22 C ATOM 586 CE LYS A 39 -15.252 -15.629 -0.973 1.00 64.33 C ATOM 587 NZ LYS A 39 -15.123 -17.110 -0.928 1.00 52.43 N ATOM 0 H LYS A 39 -16.169 -13.530 -5.530 1.00 62.41 H new ATOM 0 HA LYS A 39 -17.585 -16.033 -5.076 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -16.749 -13.813 -3.182 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -17.339 -15.398 -2.723 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -15.363 -16.479 -3.609 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -14.812 -14.991 -4.354 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -13.568 -15.382 -2.283 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -14.559 -13.946 -2.113 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -14.796 -15.199 -0.081 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -16.307 -15.357 -0.954 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -15.522 -17.466 -0.036 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -15.638 -17.528 -1.729 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -14.119 -17.373 -0.987 1.00 52.43 H new ATOM 601 N VAL A 40 -19.892 -15.105 -5.125 1.00 63.22 N ATOM 602 CA VAL A 40 -21.257 -14.618 -5.067 1.00 35.24 C ATOM 603 C VAL A 40 -21.971 -15.219 -3.868 1.00 33.00 C ATOM 604 O VAL A 40 -22.350 -16.393 -3.873 1.00 4.22 O ATOM 605 CB VAL A 40 -22.041 -14.959 -6.351 1.00 25.43 C ATOM 606 CG1 VAL A 40 -23.433 -14.345 -6.318 1.00 2.44 C ATOM 607 CG2 VAL A 40 -21.282 -14.500 -7.585 1.00 42.04 C ATOM 0 H VAL A 40 -19.793 -16.046 -5.506 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.215 -13.533 -4.972 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.150 -16.042 -6.400 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -23.965 -14.600 -7.234 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -23.982 -14.733 -5.460 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.351 -13.261 -6.236 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -21.854 -14.751 -8.478 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.134 -13.421 -7.540 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -20.313 -14.998 -7.623 1.00 42.04 H new ATOM 617 N ILE A 41 -22.139 -14.410 -2.837 1.00 54.23 N ATOM 618 CA ILE A 41 -22.819 -14.850 -1.634 1.00 33.03 C ATOM 619 C ILE A 41 -24.281 -14.439 -1.688 1.00 40.43 C ATOM 620 O ILE A 41 -24.615 -13.262 -1.552 1.00 0.12 O ATOM 621 CB ILE A 41 -22.153 -14.277 -0.362 1.00 63.32 C ATOM 622 CG1 ILE A 41 -20.692 -14.735 -0.277 1.00 72.31 C ATOM 623 CG2 ILE A 41 -22.921 -14.692 0.889 1.00 50.41 C ATOM 624 CD1 ILE A 41 -20.523 -16.243 -0.245 1.00 73.31 C ATOM 0 H ILE A 41 -21.813 -13.444 -2.810 1.00 54.23 H new ATOM 0 HA ILE A 41 -22.747 -15.937 -1.585 1.00 33.03 H new ATOM 0 HB ILE A 41 -22.174 -13.189 -0.423 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -20.146 -14.336 -1.132 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -20.239 -14.309 0.618 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -22.433 -14.276 1.770 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -23.943 -14.317 0.830 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -22.937 -15.779 0.962 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -19.463 -16.489 -0.185 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -21.040 -16.649 0.625 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -20.945 -16.676 -1.152 1.00 73.31 H new ATOM 636 N SER A 42 -25.145 -15.407 -1.936 1.00 20.34 N ATOM 637 CA SER A 42 -26.571 -15.153 -2.028 1.00 24.41 C ATOM 638 C SER A 42 -27.344 -16.262 -1.335 1.00 53.10 C ATOM 639 O SER A 42 -27.078 -17.444 -1.560 1.00 71.22 O ATOM 640 CB SER A 42 -26.993 -15.060 -3.493 1.00 15.34 C ATOM 641 OG SER A 42 -26.205 -14.117 -4.190 1.00 44.11 O ATOM 0 H SER A 42 -24.881 -16.382 -2.078 1.00 20.34 H new ATOM 0 HA SER A 42 -26.792 -14.206 -1.535 1.00 24.41 H new ATOM 0 HB2 SER A 42 -26.898 -16.038 -3.965 1.00 15.34 H new ATOM 0 HB3 SER A 42 -28.044 -14.777 -3.555 1.00 15.34 H new ATOM 0 HG SER A 42 -26.494 -14.077 -5.126 1.00 44.11 H new ATOM 647 N SER A 43 -28.315 -15.875 -0.516 1.00 30.43 N ATOM 648 CA SER A 43 -29.117 -16.826 0.248 1.00 73.12 C ATOM 649 C SER A 43 -29.897 -17.753 -0.689 1.00 23.01 C ATOM 650 O SER A 43 -30.324 -18.834 -0.294 1.00 1.22 O ATOM 651 CB SER A 43 -30.077 -16.066 1.172 1.00 14.53 C ATOM 652 OG SER A 43 -30.687 -16.928 2.118 1.00 21.44 O ATOM 0 H SER A 43 -28.568 -14.899 -0.363 1.00 30.43 H new ATOM 0 HA SER A 43 -28.451 -17.441 0.853 1.00 73.12 H new ATOM 0 HB2 SER A 43 -29.533 -15.279 1.694 1.00 14.53 H new ATOM 0 HB3 SER A 43 -30.847 -15.578 0.575 1.00 14.53 H new ATOM 0 HG SER A 43 -31.291 -16.410 2.691 1.00 21.44 H new ATOM 658 N GLN A 44 -30.064 -17.320 -1.935 1.00 22.21 N ATOM 659 CA GLN A 44 -30.774 -18.105 -2.939 1.00 35.52 C ATOM 660 C GLN A 44 -30.039 -19.411 -3.241 1.00 53.44 C ATOM 661 O GLN A 44 -30.650 -20.381 -3.683 1.00 5.22 O ATOM 662 CB GLN A 44 -30.960 -17.311 -4.242 1.00 53.01 C ATOM 663 CG GLN A 44 -31.605 -15.942 -4.059 1.00 53.14 C ATOM 664 CD GLN A 44 -30.602 -14.870 -3.672 1.00 12.44 C ATOM 665 OE1 GLN A 44 -30.331 -14.649 -2.495 1.00 4.51 O ATOM 666 NE2 GLN A 44 -30.035 -14.201 -4.664 1.00 42.54 N ATOM 0 H GLN A 44 -29.715 -16.424 -2.275 1.00 22.21 H new ATOM 0 HA GLN A 44 -31.755 -18.337 -2.525 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -29.987 -17.180 -4.715 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -31.571 -17.898 -4.927 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -32.102 -15.652 -4.985 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -32.376 -16.007 -3.291 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -30.285 -14.412 -5.630 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -29.348 -13.475 -4.462 1.00 42.54 H new ATOM 675 N PHE A 45 -28.735 -19.436 -2.988 1.00 2.34 N ATOM 676 CA PHE A 45 -27.925 -20.616 -3.270 1.00 54.05 C ATOM 677 C PHE A 45 -27.917 -21.574 -2.081 1.00 52.21 C ATOM 678 O PHE A 45 -27.364 -22.673 -2.165 1.00 54.32 O ATOM 679 CB PHE A 45 -26.481 -20.222 -3.604 1.00 21.10 C ATOM 680 CG PHE A 45 -26.320 -19.456 -4.891 1.00 62.12 C ATOM 681 CD1 PHE A 45 -26.491 -20.089 -6.111 1.00 10.23 C ATOM 682 CD2 PHE A 45 -25.970 -18.114 -4.880 1.00 52.02 C ATOM 683 CE1 PHE A 45 -26.319 -19.400 -7.295 1.00 25.21 C ATOM 684 CE2 PHE A 45 -25.802 -17.419 -6.063 1.00 22.14 C ATOM 685 CZ PHE A 45 -25.975 -18.062 -7.274 1.00 32.51 C ATOM 0 H PHE A 45 -28.217 -18.654 -2.589 1.00 2.34 H new ATOM 0 HA PHE A 45 -28.371 -21.116 -4.130 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -26.085 -19.620 -2.786 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -25.875 -21.126 -3.657 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -26.762 -21.134 -6.136 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -25.827 -17.607 -3.937 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -26.454 -19.908 -8.239 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -25.535 -16.373 -6.041 1.00 22.14 H new ATOM 0 HZ PHE A 45 -25.842 -17.521 -8.199 1.00 32.51 H new ATOM 695 N GLN A 46 -28.533 -21.155 -0.981 1.00 72.45 N ATOM 696 CA GLN A 46 -28.524 -21.943 0.248 1.00 75.13 C ATOM 697 C GLN A 46 -29.270 -23.257 0.060 1.00 33.34 C ATOM 698 O GLN A 46 -30.470 -23.268 -0.212 1.00 13.13 O ATOM 699 CB GLN A 46 -29.159 -21.158 1.398 1.00 64.41 C ATOM 700 CG GLN A 46 -29.086 -21.875 2.739 1.00 21.44 C ATOM 701 CD GLN A 46 -29.990 -21.247 3.780 1.00 44.02 C ATOM 702 OE1 GLN A 46 -31.037 -20.691 3.448 1.00 34.13 O ATOM 703 NE2 GLN A 46 -29.593 -21.330 5.040 1.00 64.01 N ATOM 0 H GLN A 46 -29.045 -20.275 -0.914 1.00 72.45 H new ATOM 0 HA GLN A 46 -27.484 -22.160 0.492 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -28.663 -20.192 1.485 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -30.204 -20.959 1.158 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -29.363 -22.921 2.604 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -28.057 -21.862 3.099 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -28.717 -21.800 5.269 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -30.163 -20.924 5.782 1.00 64.01 H new ATOM 712 N GLY A 47 -28.545 -24.360 0.187 1.00 61.23 N ATOM 713 CA GLY A 47 -29.166 -25.670 0.151 1.00 30.52 C ATOM 714 C GLY A 47 -29.621 -26.079 -1.235 1.00 5.25 C ATOM 715 O GLY A 47 -30.447 -26.979 -1.379 1.00 33.03 O ATOM 0 H GLY A 47 -27.533 -24.371 0.315 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -28.459 -26.410 0.527 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -30.023 -25.677 0.824 1.00 30.52 H new ATOM 719 N LYS A 48 -29.099 -25.421 -2.259 1.00 74.22 N ATOM 720 CA LYS A 48 -29.437 -25.782 -3.626 1.00 25.13 C ATOM 721 C LYS A 48 -28.466 -26.830 -4.152 1.00 55.24 C ATOM 722 O LYS A 48 -27.272 -26.793 -3.844 1.00 42.13 O ATOM 723 CB LYS A 48 -29.438 -24.553 -4.541 1.00 2.30 C ATOM 724 CG LYS A 48 -30.480 -23.505 -4.167 1.00 31.41 C ATOM 725 CD LYS A 48 -31.874 -24.106 -4.022 1.00 43.32 C ATOM 726 CE LYS A 48 -32.388 -24.715 -5.321 1.00 50.32 C ATOM 727 NZ LYS A 48 -32.695 -23.691 -6.355 1.00 10.22 N ATOM 0 H LYS A 48 -28.446 -24.642 -2.171 1.00 74.22 H new ATOM 0 HA LYS A 48 -30.443 -26.201 -3.623 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -28.450 -24.093 -4.517 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -29.614 -24.876 -5.567 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -30.193 -23.027 -3.230 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -30.499 -22.726 -4.929 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -31.856 -24.873 -3.248 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -32.566 -23.333 -3.689 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -31.643 -25.408 -5.712 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -33.286 -25.297 -5.114 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -32.910 -24.162 -7.257 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -33.517 -23.129 -6.054 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -31.874 -23.065 -6.478 1.00 10.22 H new ATOM 741 N SER A 49 -28.995 -27.767 -4.931 1.00 13.41 N ATOM 742 CA SER A 49 -28.207 -28.849 -5.502 1.00 51.51 C ATOM 743 C SER A 49 -27.154 -28.311 -6.473 1.00 12.24 C ATOM 744 O SER A 49 -27.208 -27.149 -6.884 1.00 74.40 O ATOM 745 CB SER A 49 -29.145 -29.803 -6.235 1.00 73.24 C ATOM 746 OG SER A 49 -30.408 -29.860 -5.588 1.00 23.44 O ATOM 0 H SER A 49 -29.983 -27.796 -5.184 1.00 13.41 H new ATOM 0 HA SER A 49 -27.687 -29.371 -4.699 1.00 51.51 H new ATOM 0 HB2 SER A 49 -29.273 -29.474 -7.266 1.00 73.24 H new ATOM 0 HB3 SER A 49 -28.704 -30.799 -6.271 1.00 73.24 H new ATOM 0 HG SER A 49 -30.997 -30.475 -6.073 1.00 23.44 H new ATOM 752 N LYS A 50 -26.217 -29.168 -6.863 1.00 4.42 N ATOM 753 CA LYS A 50 -25.158 -28.774 -7.782 1.00 71.43 C ATOM 754 C LYS A 50 -25.735 -28.466 -9.159 1.00 23.45 C ATOM 755 O LYS A 50 -25.214 -27.622 -9.890 1.00 32.41 O ATOM 756 CB LYS A 50 -24.108 -29.883 -7.897 1.00 4.10 C ATOM 757 CG LYS A 50 -22.878 -29.485 -8.699 1.00 64.11 C ATOM 758 CD LYS A 50 -22.139 -28.311 -8.072 1.00 23.40 C ATOM 759 CE LYS A 50 -21.378 -28.713 -6.814 1.00 14.31 C ATOM 760 NZ LYS A 50 -20.298 -29.693 -7.106 1.00 52.11 N ATOM 0 H LYS A 50 -26.170 -30.140 -6.557 1.00 4.42 H new ATOM 0 HA LYS A 50 -24.682 -27.876 -7.388 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -23.796 -30.180 -6.896 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -24.566 -30.757 -8.361 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -22.204 -30.338 -8.775 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -23.177 -29.224 -9.714 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -21.442 -27.894 -8.798 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -22.853 -27.524 -7.827 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -20.947 -27.825 -6.352 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -22.072 -29.143 -6.092 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -19.614 -29.699 -6.323 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -20.710 -30.642 -7.213 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -19.814 -29.424 -7.987 1.00 52.11 H new ATOM 774 N LEU A 51 -26.815 -29.152 -9.511 1.00 35.35 N ATOM 775 CA LEU A 51 -27.489 -28.912 -10.782 1.00 23.42 C ATOM 776 C LEU A 51 -28.038 -27.487 -10.827 1.00 5.20 C ATOM 777 O LEU A 51 -27.964 -26.803 -11.852 1.00 63.51 O ATOM 778 CB LEU A 51 -28.623 -29.919 -10.988 1.00 12.31 C ATOM 779 CG LEU A 51 -28.192 -31.386 -11.038 1.00 32.31 C ATOM 780 CD1 LEU A 51 -29.406 -32.285 -11.198 1.00 43.12 C ATOM 781 CD2 LEU A 51 -27.205 -31.616 -12.173 1.00 32.51 C ATOM 0 H LEU A 51 -27.243 -29.878 -8.936 1.00 35.35 H new ATOM 0 HA LEU A 51 -26.764 -29.037 -11.586 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -29.346 -29.797 -10.182 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -29.138 -29.677 -11.918 1.00 12.31 H new ATOM 0 HG LEU A 51 -27.696 -31.634 -10.099 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -29.086 -33.326 -11.232 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -30.080 -32.140 -10.354 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -29.925 -32.034 -12.123 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -26.910 -32.665 -12.192 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -27.674 -31.353 -13.121 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -26.323 -30.994 -12.020 1.00 32.51 H new ATOM 793 N GLU A 52 -28.564 -27.049 -9.690 1.00 71.20 N ATOM 794 CA GLU A 52 -29.066 -25.692 -9.536 1.00 3.31 C ATOM 795 C GLU A 52 -27.944 -24.693 -9.789 1.00 30.12 C ATOM 796 O GLU A 52 -28.126 -23.707 -10.502 1.00 1.51 O ATOM 797 CB GLU A 52 -29.622 -25.495 -8.127 1.00 30.33 C ATOM 798 CG GLU A 52 -30.680 -26.513 -7.736 1.00 23.32 C ATOM 799 CD GLU A 52 -31.925 -26.420 -8.587 1.00 25.24 C ATOM 800 OE1 GLU A 52 -32.597 -25.371 -8.541 1.00 33.02 O ATOM 801 OE2 GLU A 52 -32.234 -27.395 -9.302 1.00 61.13 O ATOM 0 H GLU A 52 -28.654 -27.623 -8.852 1.00 71.20 H new ATOM 0 HA GLU A 52 -29.864 -25.527 -10.260 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -28.801 -25.546 -7.412 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -30.048 -24.495 -8.052 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -30.262 -27.516 -7.821 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -30.949 -26.367 -6.690 1.00 23.32 H new ATOM 808 N GLN A 53 -26.781 -24.976 -9.209 1.00 12.11 N ATOM 809 CA GLN A 53 -25.598 -24.149 -9.406 1.00 42.34 C ATOM 810 C GLN A 53 -25.254 -24.068 -10.888 1.00 43.01 C ATOM 811 O GLN A 53 -24.955 -22.994 -11.404 1.00 50.30 O ATOM 812 CB GLN A 53 -24.409 -24.719 -8.625 1.00 43.04 C ATOM 813 CG GLN A 53 -24.636 -24.798 -7.122 1.00 62.32 C ATOM 814 CD GLN A 53 -24.888 -23.441 -6.493 1.00 34.52 C ATOM 815 OE1 GLN A 53 -24.410 -22.417 -6.978 1.00 70.33 O ATOM 816 NE2 GLN A 53 -25.634 -23.427 -5.400 1.00 33.33 N ATOM 0 H GLN A 53 -26.634 -25.777 -8.595 1.00 12.11 H new ATOM 0 HA GLN A 53 -25.812 -23.147 -9.035 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -24.185 -25.717 -9.001 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -23.531 -24.102 -8.818 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -25.486 -25.450 -6.921 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -23.766 -25.255 -6.651 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -26.012 -24.299 -5.029 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -25.831 -22.544 -4.928 1.00 33.33 H new ATOM 825 N HIS A 54 -25.303 -25.215 -11.568 1.00 11.40 N ATOM 826 CA HIS A 54 -25.039 -25.266 -13.005 1.00 50.22 C ATOM 827 C HIS A 54 -25.961 -24.312 -13.755 1.00 75.33 C ATOM 828 O HIS A 54 -25.493 -23.489 -14.540 1.00 22.05 O ATOM 829 CB HIS A 54 -25.198 -26.689 -13.555 1.00 60.03 C ATOM 830 CG HIS A 54 -24.014 -27.578 -13.304 1.00 0.23 C ATOM 831 ND1 HIS A 54 -23.790 -28.208 -12.102 1.00 44.12 N ATOM 832 CD2 HIS A 54 -22.993 -27.949 -14.113 1.00 72.31 C ATOM 833 CE1 HIS A 54 -22.688 -28.928 -12.182 1.00 21.24 C ATOM 834 NE2 HIS A 54 -22.183 -28.791 -13.390 1.00 73.11 N ATOM 0 H HIS A 54 -25.522 -26.118 -11.147 1.00 11.40 H new ATOM 0 HA HIS A 54 -24.005 -24.956 -13.159 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -26.082 -27.144 -13.107 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -25.377 -26.634 -14.629 1.00 60.03 H new ATOM 0 HD1 HIS A 54 -24.384 -28.130 -11.277 1.00 44.12 H new ATOM 0 HD2 HIS A 54 -22.843 -27.640 -15.137 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -22.270 -29.530 -11.389 1.00 21.24 H new ATOM 843 N ARG A 55 -27.265 -24.419 -13.499 1.00 60.31 N ATOM 844 CA ARG A 55 -28.244 -23.526 -14.127 1.00 40.14 C ATOM 845 C ARG A 55 -27.916 -22.063 -13.842 1.00 43.34 C ATOM 846 O ARG A 55 -27.789 -21.253 -14.765 1.00 3.25 O ATOM 847 CB ARG A 55 -29.659 -23.824 -13.626 1.00 52.11 C ATOM 848 CG ARG A 55 -30.308 -25.053 -14.238 1.00 35.13 C ATOM 849 CD ARG A 55 -31.745 -25.193 -13.758 1.00 61.41 C ATOM 850 NE ARG A 55 -32.478 -26.237 -14.470 1.00 74.14 N ATOM 851 CZ ARG A 55 -33.567 -26.843 -13.992 1.00 14.23 C ATOM 852 NH1 ARG A 55 -34.049 -26.512 -12.795 1.00 74.13 N ATOM 853 NH2 ARG A 55 -34.179 -27.770 -14.717 1.00 52.14 N ATOM 0 H ARG A 55 -27.668 -25.110 -12.866 1.00 60.31 H new ATOM 0 HA ARG A 55 -28.196 -23.703 -15.202 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -29.627 -23.949 -12.544 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -30.290 -22.959 -13.828 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -30.287 -24.979 -15.325 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -29.740 -25.943 -13.968 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -31.747 -25.416 -12.691 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -32.261 -24.241 -13.886 1.00 61.41 H new ATOM 0 HE ARG A 55 -32.137 -26.520 -15.389 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -33.586 -25.793 -12.240 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -34.881 -26.978 -12.434 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -33.817 -28.018 -15.638 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -35.011 -28.234 -14.354 1.00 52.14 H new ATOM 867 N MET A 56 -27.768 -21.740 -12.561 1.00 5.13 N ATOM 868 CA MET A 56 -27.544 -20.363 -12.126 1.00 13.24 C ATOM 869 C MET A 56 -26.311 -19.765 -12.789 1.00 73.24 C ATOM 870 O MET A 56 -26.386 -18.707 -13.413 1.00 12.14 O ATOM 871 CB MET A 56 -27.397 -20.296 -10.604 1.00 12.34 C ATOM 872 CG MET A 56 -28.647 -20.704 -9.842 1.00 75.15 C ATOM 873 SD MET A 56 -30.057 -19.631 -10.182 1.00 61.02 S ATOM 874 CE MET A 56 -29.445 -18.054 -9.588 1.00 11.14 C ATOM 0 H MET A 56 -27.799 -22.418 -11.800 1.00 5.13 H new ATOM 0 HA MET A 56 -28.413 -19.779 -12.428 1.00 13.24 H new ATOM 0 HB2 MET A 56 -26.573 -20.941 -10.300 1.00 12.34 H new ATOM 0 HB3 MET A 56 -27.127 -19.279 -10.320 1.00 12.34 H new ATOM 0 HG2 MET A 56 -28.907 -21.730 -10.102 1.00 75.15 H new ATOM 0 HG3 MET A 56 -28.436 -20.690 -8.773 1.00 75.15 H new ATOM 0 HE1 MET A 56 -30.283 -17.374 -9.431 1.00 11.14 H new ATOM 0 HE2 MET A 56 -28.915 -18.201 -8.647 1.00 11.14 H new ATOM 0 HE3 MET A 56 -28.765 -17.627 -10.325 1.00 11.14 H new ATOM 884 N ILE A 57 -25.184 -20.452 -12.669 1.00 55.45 N ATOM 885 CA ILE A 57 -23.930 -19.961 -13.227 1.00 13.21 C ATOM 886 C ILE A 57 -24.025 -19.817 -14.745 1.00 34.43 C ATOM 887 O ILE A 57 -23.632 -18.794 -15.304 1.00 62.10 O ATOM 888 CB ILE A 57 -22.751 -20.897 -12.883 1.00 42.03 C ATOM 889 CG1 ILE A 57 -22.601 -21.033 -11.364 1.00 2.03 C ATOM 890 CG2 ILE A 57 -21.460 -20.375 -13.501 1.00 32.31 C ATOM 891 CD1 ILE A 57 -21.513 -21.999 -10.938 1.00 2.10 C ATOM 0 H ILE A 57 -25.111 -21.350 -12.191 1.00 55.45 H new ATOM 0 HA ILE A 57 -23.747 -18.984 -12.780 1.00 13.21 H new ATOM 0 HB ILE A 57 -22.959 -21.883 -13.299 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -22.388 -20.051 -10.941 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -23.551 -21.362 -10.943 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -20.639 -21.046 -13.249 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -21.569 -20.326 -14.584 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -21.247 -19.379 -13.112 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -21.469 -22.040 -9.850 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -21.734 -22.992 -11.330 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -20.553 -21.660 -11.328 1.00 2.10 H new ATOM 903 N TYR A 58 -24.575 -20.837 -15.392 1.00 15.22 N ATOM 904 CA TYR A 58 -24.670 -20.872 -16.845 1.00 4.35 C ATOM 905 C TYR A 58 -25.583 -19.763 -17.369 1.00 73.40 C ATOM 906 O TYR A 58 -25.382 -19.248 -18.469 1.00 43.54 O ATOM 907 CB TYR A 58 -25.184 -22.245 -17.285 1.00 3.41 C ATOM 908 CG TYR A 58 -25.090 -22.506 -18.771 1.00 74.31 C ATOM 909 CD1 TYR A 58 -23.937 -22.201 -19.482 1.00 21.34 C ATOM 910 CD2 TYR A 58 -26.154 -23.074 -19.459 1.00 0.24 C ATOM 911 CE1 TYR A 58 -23.847 -22.453 -20.836 1.00 75.23 C ATOM 912 CE2 TYR A 58 -26.073 -23.328 -20.815 1.00 44.13 C ATOM 913 CZ TYR A 58 -24.917 -23.014 -21.498 1.00 54.23 C ATOM 914 OH TYR A 58 -24.824 -23.271 -22.848 1.00 40.03 O ATOM 0 H TYR A 58 -24.965 -21.657 -14.928 1.00 15.22 H new ATOM 0 HA TYR A 58 -23.678 -20.703 -17.265 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -24.621 -23.015 -16.758 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -26.225 -22.344 -16.977 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -23.097 -21.759 -18.967 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -27.060 -23.321 -18.926 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -22.942 -22.212 -21.374 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -26.910 -23.769 -21.336 1.00 44.13 H new ATOM 0 HH TYR A 58 -25.662 -23.668 -23.164 1.00 40.03 H new ATOM 924 N LYS A 59 -26.592 -19.404 -16.584 1.00 73.42 N ATOM 925 CA LYS A 59 -27.533 -18.364 -16.985 1.00 51.11 C ATOM 926 C LYS A 59 -27.000 -16.965 -16.657 1.00 44.10 C ATOM 927 O LYS A 59 -27.102 -16.050 -17.478 1.00 22.41 O ATOM 928 CB LYS A 59 -28.888 -18.585 -16.306 1.00 13.12 C ATOM 929 CG LYS A 59 -29.956 -17.553 -16.665 1.00 73.15 C ATOM 930 CD LYS A 59 -30.534 -17.752 -18.066 1.00 61.04 C ATOM 931 CE LYS A 59 -29.563 -17.339 -19.165 1.00 2.45 C ATOM 932 NZ LYS A 59 -30.192 -17.380 -20.511 1.00 73.34 N ATOM 0 H LYS A 59 -26.780 -19.815 -15.670 1.00 73.42 H new ATOM 0 HA LYS A 59 -27.658 -18.428 -18.066 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -29.255 -19.576 -16.572 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -28.744 -18.578 -15.226 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -30.763 -17.605 -15.934 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -29.526 -16.554 -16.594 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -30.802 -18.800 -18.199 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -31.453 -17.173 -18.162 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -29.198 -16.331 -18.966 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -28.697 -18.000 -19.150 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -29.496 -17.092 -21.228 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -30.517 -18.347 -20.713 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -31.003 -16.730 -20.535 1.00 73.34 H new ATOM 946 N VAL A 60 -26.441 -16.792 -15.465 1.00 40.42 N ATOM 947 CA VAL A 60 -25.960 -15.480 -15.040 1.00 13.04 C ATOM 948 C VAL A 60 -24.683 -15.094 -15.786 1.00 62.12 C ATOM 949 O VAL A 60 -24.588 -14.004 -16.351 1.00 21.20 O ATOM 950 CB VAL A 60 -25.709 -15.423 -13.516 1.00 40.25 C ATOM 951 CG1 VAL A 60 -25.170 -14.058 -13.111 1.00 54.03 C ATOM 952 CG2 VAL A 60 -26.989 -15.736 -12.753 1.00 74.32 C ATOM 0 H VAL A 60 -26.310 -17.536 -14.780 1.00 40.42 H new ATOM 0 HA VAL A 60 -26.746 -14.765 -15.283 1.00 13.04 H new ATOM 0 HB VAL A 60 -24.962 -16.176 -13.264 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -25.000 -14.039 -12.035 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -24.230 -13.869 -13.630 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -25.893 -13.287 -13.378 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -26.794 -15.691 -11.682 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -27.755 -15.006 -13.013 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -27.335 -16.735 -13.018 1.00 74.32 H new ATOM 962 N LEU A 61 -23.722 -16.004 -15.818 1.00 32.20 N ATOM 963 CA LEU A 61 -22.445 -15.750 -16.480 1.00 23.13 C ATOM 964 C LEU A 61 -22.530 -16.119 -17.955 1.00 43.05 C ATOM 965 O LEU A 61 -21.519 -16.399 -18.603 1.00 70.44 O ATOM 966 CB LEU A 61 -21.312 -16.531 -15.801 1.00 21.35 C ATOM 967 CG LEU A 61 -20.661 -15.843 -14.594 1.00 63.31 C ATOM 968 CD1 LEU A 61 -19.983 -14.550 -15.020 1.00 14.42 C ATOM 969 CD2 LEU A 61 -21.685 -15.566 -13.503 1.00 52.20 C ATOM 0 H LEU A 61 -23.799 -16.928 -15.393 1.00 32.20 H new ATOM 0 HA LEU A 61 -22.224 -14.686 -16.396 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -21.703 -17.496 -15.479 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -20.539 -16.732 -16.542 1.00 21.35 H new ATOM 0 HG LEU A 61 -19.907 -16.518 -14.189 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -19.527 -14.075 -14.151 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -19.213 -14.769 -15.760 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -20.723 -13.877 -15.454 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -21.196 -15.078 -12.660 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -22.467 -14.916 -13.895 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -22.127 -16.506 -13.172 1.00 52.20 H new ATOM 981 N ASP A 62 -23.747 -16.100 -18.480 1.00 51.31 N ATOM 982 CA ASP A 62 -23.992 -16.414 -19.878 1.00 11.45 C ATOM 983 C ASP A 62 -23.405 -15.352 -20.797 1.00 35.13 C ATOM 984 O ASP A 62 -23.955 -14.259 -20.951 1.00 45.22 O ATOM 985 CB ASP A 62 -25.490 -16.568 -20.138 1.00 14.42 C ATOM 986 CG ASP A 62 -25.829 -16.601 -21.612 1.00 30.25 C ATOM 987 OD1 ASP A 62 -25.225 -17.399 -22.356 1.00 3.33 O ATOM 988 OD2 ASP A 62 -26.701 -15.812 -22.034 1.00 64.21 O ATOM 0 H ASP A 62 -24.588 -15.868 -17.951 1.00 51.31 H new ATOM 0 HA ASP A 62 -23.496 -17.360 -20.097 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -25.843 -17.486 -19.668 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -26.023 -15.743 -19.666 1.00 14.42 H new ATOM 993 N GLY A 63 -22.262 -15.679 -21.364 1.00 4.15 N ATOM 994 CA GLY A 63 -21.646 -14.853 -22.377 1.00 43.43 C ATOM 995 C GLY A 63 -20.808 -15.706 -23.297 1.00 33.13 C ATOM 996 O GLY A 63 -19.618 -15.459 -23.476 1.00 43.24 O ATOM 0 H GLY A 63 -21.737 -16.523 -21.135 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -22.413 -14.332 -22.949 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -21.025 -14.090 -21.908 1.00 43.43 H new ATOM 1000 N LEU A 64 -21.448 -16.739 -23.852 1.00 51.34 N ATOM 1001 CA LEU A 64 -20.769 -17.775 -24.634 1.00 3.45 C ATOM 1002 C LEU A 64 -19.855 -18.607 -23.740 1.00 42.35 C ATOM 1003 O LEU A 64 -18.996 -19.349 -24.215 1.00 0.34 O ATOM 1004 CB LEU A 64 -19.977 -17.180 -25.806 1.00 54.54 C ATOM 1005 CG LEU A 64 -20.595 -17.410 -27.186 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -19.741 -16.771 -28.265 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -20.760 -18.898 -27.456 1.00 63.23 C ATOM 0 H LEU A 64 -22.455 -16.880 -23.771 1.00 51.34 H new ATOM 0 HA LEU A 64 -21.538 -18.423 -25.054 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -19.871 -16.107 -25.646 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -18.973 -17.604 -25.799 1.00 54.54 H new ATOM 0 HG LEU A 64 -21.580 -16.944 -27.202 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -20.196 -16.945 -29.240 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -19.669 -15.698 -28.084 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -18.743 -17.210 -28.247 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -21.201 -19.042 -28.442 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -19.785 -19.385 -27.420 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -21.412 -19.335 -26.700 1.00 63.23 H new ATOM 1019 N ASN A 65 -20.059 -18.483 -22.434 1.00 64.21 N ATOM 1020 CA ASN A 65 -19.299 -19.250 -21.457 1.00 60.20 C ATOM 1021 C ASN A 65 -20.076 -20.490 -21.064 1.00 64.31 C ATOM 1022 O ASN A 65 -20.972 -20.430 -20.226 1.00 34.35 O ATOM 1023 CB ASN A 65 -18.985 -18.414 -20.207 1.00 11.43 C ATOM 1024 CG ASN A 65 -17.844 -17.427 -20.402 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -17.112 -17.122 -19.463 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -17.685 -16.921 -21.616 1.00 54.41 N ATOM 0 H ASN A 65 -20.750 -17.853 -22.026 1.00 64.21 H new ATOM 0 HA ASN A 65 -18.353 -19.538 -21.915 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -19.881 -17.867 -19.912 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -18.737 -19.085 -19.385 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -16.935 -16.254 -21.796 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -18.313 -17.198 -22.370 1.00 54.41 H new ATOM 1033 N ILE A 66 -19.741 -21.605 -21.698 1.00 12.30 N ATOM 1034 CA ILE A 66 -20.412 -22.873 -21.432 1.00 41.44 C ATOM 1035 C ILE A 66 -20.161 -23.322 -19.996 1.00 2.50 C ATOM 1036 O ILE A 66 -21.025 -23.922 -19.356 1.00 31.11 O ATOM 1037 CB ILE A 66 -19.934 -23.971 -22.408 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -20.094 -23.495 -23.852 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -20.709 -25.264 -22.184 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -19.543 -24.464 -24.872 1.00 65.41 C ATOM 0 H ILE A 66 -19.006 -21.659 -22.403 1.00 12.30 H new ATOM 0 HA ILE A 66 -21.481 -22.717 -21.578 1.00 41.44 H new ATOM 0 HB ILE A 66 -18.879 -24.170 -22.218 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -21.152 -23.328 -24.056 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -19.592 -22.534 -23.967 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -20.357 -26.024 -22.881 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -20.553 -25.609 -21.162 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -21.771 -25.085 -22.349 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -19.691 -24.061 -25.874 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -18.478 -24.613 -24.694 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -20.062 -25.418 -24.785 1.00 65.41 H new ATOM 1052 N HIS A 67 -18.974 -23.017 -19.491 1.00 15.31 N ATOM 1053 CA HIS A 67 -18.610 -23.382 -18.132 1.00 41.12 C ATOM 1054 C HIS A 67 -17.618 -22.377 -17.561 1.00 13.15 C ATOM 1055 O HIS A 67 -16.433 -22.409 -17.890 1.00 11.25 O ATOM 1056 CB HIS A 67 -18.012 -24.795 -18.105 1.00 61.24 C ATOM 1057 CG HIS A 67 -17.725 -25.318 -16.726 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -18.604 -26.111 -16.024 1.00 61.32 N ATOM 1059 CD2 HIS A 67 -16.642 -25.169 -15.927 1.00 73.33 C ATOM 1060 CE1 HIS A 67 -18.077 -26.423 -14.858 1.00 43.30 C ATOM 1061 NE2 HIS A 67 -16.883 -25.867 -14.770 1.00 5.34 N ATOM 0 H HIS A 67 -18.247 -22.517 -20.003 1.00 15.31 H new ATOM 0 HA HIS A 67 -19.509 -23.371 -17.515 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -18.700 -25.478 -18.604 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -17.087 -24.797 -18.681 1.00 61.24 H new ATOM 0 HD2 HIS A 67 -15.751 -24.604 -16.158 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -18.545 -27.033 -14.099 1.00 43.30 H new ATOM 0 HE2 HIS A 67 -16.247 -25.943 -13.976 1.00 5.34 H new ATOM 1070 N ALA A 68 -18.112 -21.478 -16.723 1.00 1.04 N ATOM 1071 CA ALA A 68 -17.265 -20.488 -16.074 1.00 21.21 C ATOM 1072 C ALA A 68 -16.507 -21.121 -14.913 1.00 64.03 C ATOM 1073 O ALA A 68 -17.078 -21.886 -14.133 1.00 11.40 O ATOM 1074 CB ALA A 68 -18.104 -19.313 -15.594 1.00 11.23 C ATOM 0 H ALA A 68 -19.099 -21.414 -16.476 1.00 1.04 H new ATOM 0 HA ALA A 68 -16.537 -20.118 -16.796 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -17.459 -18.579 -15.110 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -18.604 -18.851 -16.445 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -18.850 -19.666 -14.882 1.00 11.23 H new ATOM 1080 N ILE A 69 -15.220 -20.817 -14.810 1.00 52.42 N ATOM 1081 CA ILE A 69 -14.371 -21.417 -13.784 1.00 0.05 C ATOM 1082 C ILE A 69 -13.876 -20.378 -12.778 1.00 34.51 C ATOM 1083 O ILE A 69 -13.128 -20.702 -11.855 1.00 0.24 O ATOM 1084 CB ILE A 69 -13.151 -22.128 -14.411 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -12.312 -21.138 -15.229 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -13.603 -23.293 -15.281 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -11.071 -21.749 -15.851 1.00 43.35 C ATOM 0 H ILE A 69 -14.739 -20.159 -15.423 1.00 52.42 H new ATOM 0 HA ILE A 69 -14.988 -22.148 -13.262 1.00 0.05 H new ATOM 0 HB ILE A 69 -12.529 -22.520 -13.606 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -12.933 -20.718 -16.020 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -12.014 -20.311 -14.585 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -12.731 -23.783 -15.715 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -14.156 -24.009 -14.672 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -14.246 -22.923 -16.079 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -10.532 -20.986 -16.413 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -10.427 -22.144 -15.065 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -11.361 -22.557 -16.523 1.00 43.35 H new ATOM 1099 N GLN A 70 -14.300 -19.137 -12.959 1.00 62.22 N ATOM 1100 CA GLN A 70 -13.855 -18.042 -12.106 1.00 45.13 C ATOM 1101 C GLN A 70 -14.941 -17.659 -11.102 1.00 54.23 C ATOM 1102 O GLN A 70 -14.790 -16.709 -10.336 1.00 20.23 O ATOM 1103 CB GLN A 70 -13.465 -16.817 -12.952 1.00 3.32 C ATOM 1104 CG GLN A 70 -14.642 -15.991 -13.480 1.00 45.50 C ATOM 1105 CD GLN A 70 -15.324 -16.580 -14.705 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -15.360 -17.791 -14.900 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -15.872 -15.715 -15.541 1.00 43.43 N ATOM 0 H GLN A 70 -14.954 -18.861 -13.691 1.00 62.22 H new ATOM 0 HA GLN A 70 -12.977 -18.382 -11.556 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -12.826 -16.169 -12.352 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -12.869 -17.155 -13.800 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -15.380 -15.883 -12.685 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -14.287 -14.990 -13.723 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -15.822 -14.715 -15.346 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -16.345 -16.047 -16.381 1.00 43.43 H new ATOM 1116 N ILE A 71 -16.028 -18.410 -11.107 1.00 33.52 N ATOM 1117 CA ILE A 71 -17.179 -18.096 -10.274 1.00 32.34 C ATOM 1118 C ILE A 71 -17.281 -19.046 -9.081 1.00 21.45 C ATOM 1119 O ILE A 71 -17.017 -20.243 -9.202 1.00 21.34 O ATOM 1120 CB ILE A 71 -18.483 -18.151 -11.093 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -19.700 -17.900 -10.185 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -18.587 -19.492 -11.800 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -21.020 -17.809 -10.921 1.00 61.50 C ATOM 0 H ILE A 71 -16.139 -19.246 -11.681 1.00 33.52 H new ATOM 0 HA ILE A 71 -17.037 -17.083 -9.899 1.00 32.34 H new ATOM 0 HB ILE A 71 -18.468 -17.365 -11.848 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -19.762 -18.703 -9.450 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -19.541 -16.974 -9.632 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -19.510 -19.528 -12.378 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -17.735 -19.618 -12.468 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -18.590 -20.293 -11.061 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -21.824 -17.631 -10.206 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -20.982 -16.987 -11.636 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -21.206 -18.743 -11.451 1.00 61.50 H new ATOM 1135 N GLN A 72 -17.631 -18.501 -7.924 1.00 4.42 N ATOM 1136 CA GLN A 72 -17.920 -19.315 -6.754 1.00 11.31 C ATOM 1137 C GLN A 72 -19.277 -18.932 -6.185 1.00 41.51 C ATOM 1138 O GLN A 72 -19.439 -17.845 -5.629 1.00 30.42 O ATOM 1139 CB GLN A 72 -16.847 -19.148 -5.678 1.00 73.05 C ATOM 1140 CG GLN A 72 -17.086 -20.016 -4.449 1.00 75.12 C ATOM 1141 CD GLN A 72 -16.220 -19.618 -3.272 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -15.852 -18.455 -3.124 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -15.899 -20.574 -2.413 1.00 23.21 N ATOM 0 H GLN A 72 -17.721 -17.497 -7.772 1.00 4.42 H new ATOM 0 HA GLN A 72 -17.929 -20.360 -7.064 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -15.874 -19.393 -6.104 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -16.807 -18.102 -5.373 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -18.135 -19.949 -4.161 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -16.891 -21.058 -4.702 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -16.223 -21.529 -2.568 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -15.328 -20.355 -1.596 1.00 23.21 H new ATOM 1152 N THR A 73 -20.247 -19.810 -6.349 1.00 51.10 N ATOM 1153 CA THR A 73 -21.580 -19.573 -5.832 1.00 71.51 C ATOM 1154 C THR A 73 -21.929 -20.589 -4.752 1.00 31.34 C ATOM 1155 O THR A 73 -21.701 -21.791 -4.920 1.00 0.24 O ATOM 1156 CB THR A 73 -22.623 -19.640 -6.960 1.00 1.24 C ATOM 1157 OG1 THR A 73 -22.382 -20.791 -7.780 1.00 14.45 O ATOM 1158 CG2 THR A 73 -22.580 -18.388 -7.820 1.00 60.22 C ATOM 0 H THR A 73 -20.136 -20.698 -6.839 1.00 51.10 H new ATOM 0 HA THR A 73 -21.594 -18.574 -5.396 1.00 71.51 H new ATOM 0 HB THR A 73 -23.610 -19.713 -6.504 1.00 1.24 H new ATOM 0 HG1 THR A 73 -23.016 -21.500 -7.544 1.00 14.45 H new ATOM 0 HG21 THR A 73 -23.328 -18.463 -8.609 1.00 60.22 H new ATOM 0 HG22 THR A 73 -22.791 -17.515 -7.202 1.00 60.22 H new ATOM 0 HG23 THR A 73 -21.591 -18.287 -8.266 1.00 60.22 H new ATOM 1166 N GLY A 74 -22.461 -20.106 -3.638 1.00 12.20 N ATOM 1167 CA GLY A 74 -22.855 -20.995 -2.572 1.00 10.41 C ATOM 1168 C GLY A 74 -23.083 -20.271 -1.268 1.00 15.25 C ATOM 1169 O GLY A 74 -23.072 -19.040 -1.219 1.00 44.31 O ATOM 0 H GLY A 74 -22.625 -19.116 -3.457 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -23.768 -21.517 -2.858 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -22.084 -21.753 -2.433 1.00 10.41 H new ATOM 1173 N CYS A 75 -23.317 -21.037 -0.215 1.00 41.31 N ATOM 1174 CA CYS A 75 -23.497 -20.485 1.116 1.00 31.41 C ATOM 1175 C CYS A 75 -22.687 -21.283 2.121 1.00 22.14 C ATOM 1176 O CYS A 75 -22.267 -22.409 1.840 1.00 42.21 O ATOM 1177 CB CYS A 75 -24.975 -20.496 1.505 1.00 54.21 C ATOM 1178 SG CYS A 75 -26.022 -19.516 0.408 1.00 1.04 S ATOM 0 H CYS A 75 -23.387 -22.054 -0.259 1.00 41.31 H new ATOM 0 HA CYS A 75 -23.147 -19.453 1.116 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -25.333 -21.526 1.510 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -25.077 -20.119 2.523 1.00 54.21 H new ATOM 0 HG CYS A 75 -25.317 -18.566 -0.131 1.00 1.04 H new ATOM 1184 N LYS A 76 -22.465 -20.702 3.283 1.00 72.44 N ATOM 1185 CA LYS A 76 -21.755 -21.373 4.353 1.00 24.13 C ATOM 1186 C LYS A 76 -22.570 -21.285 5.634 1.00 65.44 C ATOM 1187 O LYS A 76 -22.342 -20.350 6.430 1.00 51.21 O ATOM 1188 CB LYS A 76 -20.372 -20.747 4.550 1.00 54.32 C ATOM 1189 CG LYS A 76 -19.407 -21.026 3.405 1.00 62.33 C ATOM 1190 CD LYS A 76 -18.068 -20.316 3.581 1.00 31.01 C ATOM 1191 CE LYS A 76 -17.255 -20.865 4.751 1.00 51.33 C ATOM 1192 NZ LYS A 76 -17.808 -20.463 6.073 1.00 72.41 N ATOM 1193 OXT LYS A 76 -23.470 -22.128 5.821 1.00 0.00 O ATOM 0 H LYS A 76 -22.770 -19.756 3.511 1.00 72.44 H new ATOM 0 HA LYS A 76 -21.617 -22.422 4.091 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -20.484 -19.669 4.665 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -19.941 -21.124 5.477 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -19.238 -22.100 3.331 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -19.861 -20.709 2.466 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -17.487 -20.414 2.664 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -18.244 -19.251 3.735 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -17.226 -21.953 4.689 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -16.226 -20.514 4.670 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -17.034 -20.148 6.692 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -18.486 -19.685 5.944 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -18.291 -21.274 6.508 1.00 72.41 H new TER 1207 LYS A 76