USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=20 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= 0.668 K(o=3,f=-3.3!) USER MOD Set 1.2: A 73 THR OG1 : rot 114:sc= 1.24 USER MOD Set 1.3: A 75 CYS SG : rot -41:sc= 1.04 USER MOD Set 2.1: A 33 ASN : amide:sc= -1.32 K(o=-0.89,f=-11!) USER MOD Set 2.2: A 35 HIS : no HE2:sc= 0.344 K(o=-0.89,f=-9.1!) USER MOD Set 2.3: A 70 GLN : amide:sc= 0.0884 K(o=-0.89,f=-1.6) 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 43:sc= -0.777 USER MOD Single : A 7 THR OG1 : rot -130:sc= -0.112 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 10 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.33) USER MOD Single : A 17 ASN : amide:sc= 0.453 K(o=0.45,f=-0.15) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -21:sc= -0.913 USER MOD Single : A 28 SER OG : rot 48:sc= 0.118 USER MOD Single : A 34 ASN : amide:sc=-0.00222 K(o=-0.0022,f=-0.75) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -77:sc= -0.0477 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0.00594 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0252 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -123:sc= 0.0496 (180deg=-0.0704) USER MOD Single : A 49 SER OG : rot 114:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= -0.011 (180deg=-0.131) USER MOD Single : A 54 HIS : no HD1:sc= -0.825 X(o=-0.83,f=-0.66) USER MOD Single : A 56 MET CE :methyl 141:sc= -0.0929 (180deg=-0.489) 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= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.012) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= -0.0545 (180deg=-0.312) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -4.465 -9.573 -1.768 1.00 72.44 N ATOM 2 CA PRO A 1 -4.131 -8.861 -3.021 1.00 63.23 C ATOM 3 C PRO A 1 -2.901 -7.978 -2.834 1.00 50.34 C ATOM 4 O PRO A 1 -2.845 -7.166 -1.906 1.00 54.34 O ATOM 5 CB PRO A 1 -5.322 -8.012 -3.437 1.00 35.02 C ATOM 6 CG PRO A 1 -6.390 -8.398 -2.473 1.00 24.21 C ATOM 7 CD PRO A 1 -5.683 -8.925 -1.247 1.00 63.42 C ATOM 0 H2 PRO A 1 -3.701 -9.508 -1.096 1.00 72.44 H new ATOM 0 H3 PRO A 1 -4.625 -10.565 -1.943 1.00 72.44 H new ATOM 0 HA PRO A 1 -3.905 -9.592 -3.797 1.00 63.23 H new ATOM 0 HB2 PRO A 1 -5.095 -6.948 -3.377 1.00 35.02 H new ATOM 0 HB3 PRO A 1 -5.619 -8.217 -4.466 1.00 35.02 H new ATOM 0 HG2 PRO A 1 -7.016 -7.542 -2.223 1.00 24.21 H new ATOM 0 HG3 PRO A 1 -7.044 -9.157 -2.901 1.00 24.21 H new ATOM 0 HD2 PRO A 1 -5.438 -8.120 -0.554 1.00 63.42 H new ATOM 0 HD3 PRO A 1 -6.308 -9.634 -0.704 1.00 63.42 H new ATOM 17 N GLY A 2 -1.914 -8.154 -3.706 1.00 35.53 N ATOM 18 CA GLY A 2 -0.715 -7.340 -3.651 1.00 24.52 C ATOM 19 C GLY A 2 -0.975 -5.925 -4.126 1.00 1.40 C ATOM 20 O GLY A 2 -0.685 -4.958 -3.420 1.00 22.44 O ATOM 0 H GLY A 2 -1.924 -8.849 -4.453 1.00 35.53 H new ATOM 0 HA2 GLY A 2 -0.338 -7.317 -2.629 1.00 24.52 H new ATOM 0 HA3 GLY A 2 0.061 -7.794 -4.267 1.00 24.52 H new ATOM 24 N SER A 3 -1.520 -5.806 -5.326 1.00 10.13 N ATOM 25 CA SER A 3 -1.923 -4.517 -5.860 1.00 12.40 C ATOM 26 C SER A 3 -3.438 -4.371 -5.757 1.00 50.22 C ATOM 27 O SER A 3 -4.106 -5.220 -5.157 1.00 24.11 O ATOM 28 CB SER A 3 -1.454 -4.382 -7.312 1.00 44.31 C ATOM 29 OG SER A 3 -1.865 -5.495 -8.090 1.00 54.01 O ATOM 0 H SER A 3 -1.694 -6.593 -5.952 1.00 10.13 H new ATOM 0 HA SER A 3 -1.459 -3.720 -5.279 1.00 12.40 H new ATOM 0 HB2 SER A 3 -1.856 -3.465 -7.743 1.00 44.31 H new ATOM 0 HB3 SER A 3 -0.368 -4.297 -7.340 1.00 44.31 H new ATOM 0 HG SER A 3 -1.554 -5.382 -9.012 1.00 54.01 H new ATOM 35 N MET A 4 -3.982 -3.307 -6.328 1.00 64.30 N ATOM 36 CA MET A 4 -5.420 -3.097 -6.309 1.00 73.21 C ATOM 37 C MET A 4 -6.101 -3.945 -7.375 1.00 42.35 C ATOM 38 O MET A 4 -6.479 -3.447 -8.437 1.00 54.24 O ATOM 39 CB MET A 4 -5.774 -1.616 -6.508 1.00 72.52 C ATOM 40 CG MET A 4 -5.531 -0.741 -5.282 1.00 21.33 C ATOM 41 SD MET A 4 -3.789 -0.592 -4.839 1.00 14.12 S ATOM 42 CE MET A 4 -3.899 0.443 -3.379 1.00 12.30 C ATOM 0 H MET A 4 -3.452 -2.579 -6.808 1.00 64.30 H new ATOM 0 HA MET A 4 -5.783 -3.403 -5.328 1.00 73.21 H new ATOM 0 HB2 MET A 4 -5.190 -1.224 -7.341 1.00 72.52 H new ATOM 0 HB3 MET A 4 -6.824 -1.541 -6.791 1.00 72.52 H new ATOM 0 HG2 MET A 4 -5.937 0.253 -5.469 1.00 21.33 H new ATOM 0 HG3 MET A 4 -6.079 -1.155 -4.436 1.00 21.33 H new ATOM 0 HE1 MET A 4 -2.899 0.626 -2.986 1.00 12.30 H new ATOM 0 HE2 MET A 4 -4.365 1.393 -3.641 1.00 12.30 H new ATOM 0 HE3 MET A 4 -4.500 -0.060 -2.621 1.00 12.30 H new ATOM 52 N THR A 5 -6.227 -5.234 -7.101 1.00 5.32 N ATOM 53 CA THR A 5 -6.905 -6.137 -8.010 1.00 22.53 C ATOM 54 C THR A 5 -8.413 -5.951 -7.913 1.00 65.22 C ATOM 55 O THR A 5 -9.031 -6.293 -6.903 1.00 62.04 O ATOM 56 CB THR A 5 -6.544 -7.606 -7.713 1.00 42.10 C ATOM 57 OG1 THR A 5 -6.755 -7.889 -6.325 1.00 71.41 O ATOM 58 CG2 THR A 5 -5.098 -7.899 -8.081 1.00 53.01 C ATOM 0 H THR A 5 -5.867 -5.676 -6.255 1.00 5.32 H new ATOM 0 HA THR A 5 -6.575 -5.899 -9.021 1.00 22.53 H new ATOM 0 HB THR A 5 -7.189 -8.243 -8.318 1.00 42.10 H new ATOM 0 HG1 THR A 5 -7.599 -7.485 -6.034 1.00 71.41 H new ATOM 0 HG21 THR A 5 -4.871 -8.942 -7.861 1.00 53.01 H new ATOM 0 HG22 THR A 5 -4.948 -7.711 -9.144 1.00 53.01 H new ATOM 0 HG23 THR A 5 -4.437 -7.254 -7.502 1.00 53.01 H new ATOM 66 N VAL A 6 -8.995 -5.391 -8.957 1.00 4.20 N ATOM 67 CA VAL A 6 -10.424 -5.148 -8.990 1.00 13.52 C ATOM 68 C VAL A 6 -11.128 -6.222 -9.804 1.00 40.55 C ATOM 69 O VAL A 6 -10.483 -7.112 -10.351 1.00 4.41 O ATOM 70 CB VAL A 6 -10.754 -3.759 -9.578 1.00 75.41 C ATOM 71 CG1 VAL A 6 -10.194 -2.655 -8.694 1.00 44.14 C ATOM 72 CG2 VAL A 6 -10.218 -3.629 -10.997 1.00 12.15 C ATOM 0 H VAL A 6 -8.497 -5.095 -9.797 1.00 4.20 H new ATOM 0 HA VAL A 6 -10.780 -5.178 -7.960 1.00 13.52 H new ATOM 0 HB VAL A 6 -11.839 -3.656 -9.613 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -10.437 -1.684 -9.126 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -10.631 -2.729 -7.698 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -9.111 -2.759 -8.623 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -10.463 -2.642 -11.389 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -9.136 -3.758 -10.990 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -10.671 -4.393 -11.628 1.00 12.15 H new ATOM 82 N THR A 7 -12.445 -6.145 -9.866 1.00 31.41 N ATOM 83 CA THR A 7 -13.223 -7.064 -10.672 1.00 35.31 C ATOM 84 C THR A 7 -13.865 -6.306 -11.826 1.00 31.42 C ATOM 85 O THR A 7 -13.870 -5.069 -11.830 1.00 72.04 O ATOM 86 CB THR A 7 -14.305 -7.775 -9.826 1.00 54.51 C ATOM 87 OG1 THR A 7 -15.000 -8.750 -10.614 1.00 5.41 O ATOM 88 CG2 THR A 7 -15.298 -6.773 -9.252 1.00 10.33 C ATOM 0 H THR A 7 -12.999 -5.451 -9.364 1.00 31.41 H new ATOM 0 HA THR A 7 -12.556 -7.831 -11.066 1.00 35.31 H new ATOM 0 HB THR A 7 -13.803 -8.277 -8.999 1.00 54.51 H new ATOM 0 HG1 THR A 7 -15.967 -8.623 -10.514 1.00 5.41 H new ATOM 0 HG21 THR A 7 -16.047 -7.301 -8.662 1.00 10.33 H new ATOM 0 HG22 THR A 7 -14.771 -6.061 -8.617 1.00 10.33 H new ATOM 0 HG23 THR A 7 -15.788 -6.239 -10.066 1.00 10.33 H new ATOM 96 N GLN A 8 -14.403 -7.036 -12.795 1.00 3.23 N ATOM 97 CA GLN A 8 -15.018 -6.425 -13.958 1.00 50.02 C ATOM 98 C GLN A 8 -16.201 -5.564 -13.533 1.00 1.14 C ATOM 99 O GLN A 8 -17.122 -6.035 -12.852 1.00 72.35 O ATOM 100 CB GLN A 8 -15.461 -7.492 -14.962 1.00 43.14 C ATOM 101 CG GLN A 8 -15.816 -6.928 -16.332 1.00 33.25 C ATOM 102 CD GLN A 8 -16.184 -8.009 -17.333 1.00 53.30 C ATOM 103 OE1 GLN A 8 -15.724 -9.142 -17.235 1.00 54.41 O ATOM 104 NE2 GLN A 8 -16.993 -7.661 -18.322 1.00 54.35 N ATOM 0 H GLN A 8 -14.424 -8.056 -12.795 1.00 3.23 H new ATOM 0 HA GLN A 8 -14.280 -5.789 -14.446 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -14.663 -8.226 -15.076 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -16.326 -8.021 -14.560 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -16.650 -6.234 -16.230 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -14.971 -6.356 -16.715 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -17.357 -6.710 -18.372 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -17.252 -8.344 -19.033 1.00 54.35 H new ATOM 113 N SER A 9 -16.152 -4.304 -13.938 1.00 52.14 N ATOM 114 CA SER A 9 -17.148 -3.306 -13.563 1.00 2.52 C ATOM 115 C SER A 9 -18.570 -3.784 -13.852 1.00 0.31 C ATOM 116 O SER A 9 -19.472 -3.610 -13.031 1.00 54.11 O ATOM 117 CB SER A 9 -16.860 -2.011 -14.320 1.00 33.54 C ATOM 118 OG SER A 9 -16.429 -2.298 -15.642 1.00 75.12 O ATOM 0 H SER A 9 -15.414 -3.940 -14.541 1.00 52.14 H new ATOM 0 HA SER A 9 -17.080 -3.136 -12.488 1.00 2.52 H new ATOM 0 HB2 SER A 9 -17.757 -1.392 -14.349 1.00 33.54 H new ATOM 0 HB3 SER A 9 -16.094 -1.439 -13.797 1.00 33.54 H new ATOM 0 HG SER A 9 -16.249 -1.460 -16.117 1.00 75.12 H new ATOM 124 N GLN A 10 -18.754 -4.393 -15.020 1.00 65.43 N ATOM 125 CA GLN A 10 -20.063 -4.884 -15.433 1.00 50.30 C ATOM 126 C GLN A 10 -20.555 -5.998 -14.519 1.00 24.22 C ATOM 127 O GLN A 10 -21.695 -5.974 -14.070 1.00 13.03 O ATOM 128 CB GLN A 10 -20.012 -5.378 -16.879 1.00 3.51 C ATOM 129 CG GLN A 10 -19.728 -4.278 -17.886 1.00 31.21 C ATOM 130 CD GLN A 10 -20.790 -3.201 -17.883 1.00 30.13 C ATOM 131 OE1 GLN A 10 -20.687 -2.208 -17.164 1.00 43.14 O ATOM 132 NE2 GLN A 10 -21.834 -3.408 -18.665 1.00 21.05 N ATOM 0 H GLN A 10 -18.010 -4.558 -15.698 1.00 65.43 H new ATOM 0 HA GLN A 10 -20.766 -4.054 -15.361 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -19.243 -6.146 -16.965 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -20.963 -5.850 -17.127 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -18.760 -3.829 -17.665 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -19.658 -4.712 -18.883 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -21.878 -4.246 -19.245 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -22.596 -2.730 -18.689 1.00 21.05 H new ATOM 141 N LEU A 11 -19.686 -6.960 -14.229 1.00 1.21 N ATOM 142 CA LEU A 11 -20.060 -8.102 -13.402 1.00 12.41 C ATOM 143 C LEU A 11 -20.456 -7.650 -12.001 1.00 54.11 C ATOM 144 O LEU A 11 -21.482 -8.073 -11.467 1.00 71.13 O ATOM 145 CB LEU A 11 -18.908 -9.110 -13.319 1.00 53.43 C ATOM 146 CG LEU A 11 -18.505 -9.761 -14.644 1.00 4.24 C ATOM 147 CD1 LEU A 11 -17.357 -10.735 -14.427 1.00 55.21 C ATOM 148 CD2 LEU A 11 -19.693 -10.474 -15.271 1.00 61.15 C ATOM 0 H LEU A 11 -18.719 -6.972 -14.554 1.00 1.21 H new ATOM 0 HA LEU A 11 -20.918 -8.586 -13.868 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -18.036 -8.605 -12.902 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -19.187 -9.897 -12.618 1.00 53.43 H new ATOM 0 HG LEU A 11 -18.173 -8.978 -15.326 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -17.081 -11.190 -15.378 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -16.499 -10.201 -14.018 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -17.667 -11.513 -13.729 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -19.388 -10.931 -16.212 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -20.053 -11.247 -14.592 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -20.491 -9.756 -15.458 1.00 61.15 H new ATOM 160 N GLU A 12 -19.640 -6.776 -11.423 1.00 14.13 N ATOM 161 CA GLU A 12 -19.881 -6.265 -10.078 1.00 13.33 C ATOM 162 C GLU A 12 -21.202 -5.503 -10.034 1.00 23.45 C ATOM 163 O GLU A 12 -22.087 -5.812 -9.232 1.00 35.24 O ATOM 164 CB GLU A 12 -18.715 -5.360 -9.667 1.00 72.23 C ATOM 165 CG GLU A 12 -18.599 -5.109 -8.170 1.00 2.41 C ATOM 166 CD GLU A 12 -19.545 -4.036 -7.670 1.00 74.31 C ATOM 167 OE1 GLU A 12 -19.465 -2.895 -8.171 1.00 23.41 O ATOM 168 OE2 GLU A 12 -20.344 -4.315 -6.756 1.00 33.12 O ATOM 0 H GLU A 12 -18.801 -6.404 -11.868 1.00 14.13 H new ATOM 0 HA GLU A 12 -19.949 -7.096 -9.376 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -17.785 -5.806 -10.019 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -18.821 -4.401 -10.175 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -18.798 -6.038 -7.636 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -17.575 -4.820 -7.935 1.00 2.41 H new ATOM 175 N LEU A 13 -21.333 -4.532 -10.927 1.00 24.43 N ATOM 176 CA LEU A 13 -22.534 -3.712 -11.016 1.00 1.43 C ATOM 177 C LEU A 13 -23.775 -4.575 -11.243 1.00 31.21 C ATOM 178 O LEU A 13 -24.811 -4.369 -10.607 1.00 4.34 O ATOM 179 CB LEU A 13 -22.370 -2.685 -12.145 1.00 73.45 C ATOM 180 CG LEU A 13 -23.643 -1.956 -12.579 1.00 63.21 C ATOM 181 CD1 LEU A 13 -23.393 -0.460 -12.667 1.00 44.11 C ATOM 182 CD2 LEU A 13 -24.119 -2.492 -13.923 1.00 50.21 C ATOM 0 H LEU A 13 -20.613 -4.291 -11.608 1.00 24.43 H new ATOM 0 HA LEU A 13 -22.671 -3.186 -10.071 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -21.639 -1.941 -11.829 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -21.952 -3.193 -13.014 1.00 73.45 H new ATOM 0 HG LEU A 13 -24.419 -2.133 -11.834 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -24.308 0.044 -12.977 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -23.085 -0.085 -11.691 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -22.607 -0.265 -13.396 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -25.026 -1.967 -14.224 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -23.343 -2.335 -14.673 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -24.329 -3.558 -13.836 1.00 50.21 H new ATOM 194 N LEU A 14 -23.649 -5.556 -12.123 1.00 72.01 N ATOM 195 CA LEU A 14 -24.781 -6.395 -12.505 1.00 3.52 C ATOM 196 C LEU A 14 -25.305 -7.172 -11.305 1.00 71.02 C ATOM 197 O LEU A 14 -26.498 -7.143 -11.008 1.00 70.32 O ATOM 198 CB LEU A 14 -24.377 -7.364 -13.616 1.00 33.20 C ATOM 199 CG LEU A 14 -25.497 -8.271 -14.134 1.00 40.12 C ATOM 200 CD1 LEU A 14 -26.614 -7.445 -14.756 1.00 54.01 C ATOM 201 CD2 LEU A 14 -24.949 -9.269 -15.140 1.00 11.21 C ATOM 0 H LEU A 14 -22.773 -5.793 -12.589 1.00 72.01 H new ATOM 0 HA LEU A 14 -25.575 -5.745 -12.874 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -23.983 -6.787 -14.453 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -23.564 -7.991 -13.250 1.00 33.20 H new ATOM 0 HG LEU A 14 -25.910 -8.822 -13.289 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -27.399 -8.109 -15.118 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -27.027 -6.769 -14.007 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -26.217 -6.865 -15.589 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -25.758 -9.906 -15.498 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -24.509 -8.733 -15.981 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -24.186 -9.885 -14.663 1.00 11.21 H new ATOM 213 N ILE A 15 -24.403 -7.844 -10.606 1.00 13.25 N ATOM 214 CA ILE A 15 -24.781 -8.660 -9.462 1.00 24.23 C ATOM 215 C ILE A 15 -25.302 -7.792 -8.319 1.00 61.32 C ATOM 216 O ILE A 15 -26.270 -8.149 -7.655 1.00 75.31 O ATOM 217 CB ILE A 15 -23.594 -9.520 -8.963 1.00 33.14 C ATOM 218 CG1 ILE A 15 -23.103 -10.447 -10.080 1.00 70.34 C ATOM 219 CG2 ILE A 15 -23.986 -10.331 -7.732 1.00 52.02 C ATOM 220 CD1 ILE A 15 -24.162 -11.405 -10.586 1.00 63.52 C ATOM 0 H ILE A 15 -23.404 -7.840 -10.811 1.00 13.25 H new ATOM 0 HA ILE A 15 -25.577 -9.327 -9.793 1.00 24.23 H new ATOM 0 HB ILE A 15 -22.782 -8.849 -8.681 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -22.746 -9.841 -10.913 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -22.251 -11.021 -9.716 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -23.134 -10.926 -7.402 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.288 -9.655 -6.932 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -24.816 -10.992 -7.981 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -23.741 -12.029 -11.375 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -24.502 -12.037 -9.766 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -25.005 -10.839 -10.982 1.00 63.52 H new ATOM 232 N ARG A 16 -24.675 -6.639 -8.113 1.00 32.24 N ATOM 233 CA ARG A 16 -25.055 -5.760 -7.013 1.00 15.30 C ATOM 234 C ARG A 16 -26.449 -5.170 -7.224 1.00 74.23 C ATOM 235 O ARG A 16 -27.223 -5.042 -6.277 1.00 15.23 O ATOM 236 CB ARG A 16 -24.027 -4.639 -6.844 1.00 23.14 C ATOM 237 CG ARG A 16 -24.214 -3.834 -5.567 1.00 71.35 C ATOM 238 CD ARG A 16 -24.119 -4.722 -4.335 1.00 63.11 C ATOM 239 NE ARG A 16 -24.300 -3.967 -3.095 1.00 73.55 N ATOM 240 CZ ARG A 16 -24.870 -4.463 -1.997 1.00 72.42 C ATOM 241 NH1 ARG A 16 -25.299 -5.718 -1.979 1.00 4.32 N ATOM 242 NH2 ARG A 16 -25.014 -3.702 -0.917 1.00 75.13 N ATOM 0 H ARG A 16 -23.907 -6.293 -8.688 1.00 32.24 H new ATOM 0 HA ARG A 16 -25.078 -6.360 -6.103 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -23.026 -5.070 -6.849 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -24.089 -3.967 -7.700 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -23.457 -3.052 -5.513 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -25.184 -3.338 -5.586 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -24.874 -5.506 -4.395 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -23.148 -5.216 -4.319 1.00 63.11 H new ATOM 0 HE ARG A 16 -23.970 -3.002 -3.069 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -25.193 -6.305 -2.806 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -25.735 -6.096 -1.138 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -24.688 -2.736 -0.927 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -25.451 -4.084 -0.078 1.00 75.13 H new ATOM 256 N ASN A 17 -26.763 -4.811 -8.463 1.00 21.01 N ATOM 257 CA ASN A 17 -28.062 -4.215 -8.773 1.00 71.44 C ATOM 258 C ASN A 17 -29.154 -5.273 -8.861 1.00 24.13 C ATOM 259 O ASN A 17 -30.278 -5.050 -8.407 1.00 64.41 O ATOM 260 CB ASN A 17 -28.003 -3.408 -10.074 1.00 22.11 C ATOM 261 CG ASN A 17 -27.360 -2.049 -9.877 1.00 54.33 C ATOM 262 OD1 ASN A 17 -28.044 -1.057 -9.620 1.00 70.12 O ATOM 263 ND2 ASN A 17 -26.043 -1.995 -9.996 1.00 64.22 N ATOM 0 H ASN A 17 -26.143 -4.920 -9.266 1.00 21.01 H new ATOM 0 HA ASN A 17 -28.309 -3.538 -7.955 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -27.442 -3.968 -10.822 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -29.012 -3.277 -10.464 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -25.556 -1.107 -9.874 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -25.515 -2.841 -10.210 1.00 64.22 H new ATOM 270 N ALA A 18 -28.828 -6.423 -9.439 1.00 24.13 N ATOM 271 CA ALA A 18 -29.794 -7.506 -9.564 1.00 52.44 C ATOM 272 C ALA A 18 -30.060 -8.152 -8.210 1.00 63.32 C ATOM 273 O ALA A 18 -31.193 -8.532 -7.902 1.00 53.11 O ATOM 274 CB ALA A 18 -29.306 -8.544 -10.562 1.00 44.34 C ATOM 0 H ALA A 18 -27.907 -6.628 -9.826 1.00 24.13 H new ATOM 0 HA ALA A 18 -30.730 -7.086 -9.932 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -30.041 -9.345 -10.642 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -29.172 -8.076 -11.537 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -28.355 -8.956 -10.223 1.00 44.34 H new ATOM 280 N PHE A 19 -29.015 -8.274 -7.402 1.00 32.44 N ATOM 281 CA PHE A 19 -29.138 -8.862 -6.076 1.00 64.45 C ATOM 282 C PHE A 19 -28.530 -7.945 -5.017 1.00 11.13 C ATOM 283 O PHE A 19 -27.368 -8.107 -4.639 1.00 74.13 O ATOM 284 CB PHE A 19 -28.450 -10.231 -6.014 1.00 5.30 C ATOM 285 CG PHE A 19 -29.036 -11.266 -6.933 1.00 32.32 C ATOM 286 CD1 PHE A 19 -30.112 -12.037 -6.529 1.00 44.11 C ATOM 287 CD2 PHE A 19 -28.504 -11.473 -8.196 1.00 21.44 C ATOM 288 CE1 PHE A 19 -30.650 -12.995 -7.366 1.00 53.12 C ATOM 289 CE2 PHE A 19 -29.036 -12.432 -9.038 1.00 21.41 C ATOM 290 CZ PHE A 19 -30.112 -13.193 -8.621 1.00 4.25 C ATOM 0 H PHE A 19 -28.071 -7.973 -7.643 1.00 32.44 H new ATOM 0 HA PHE A 19 -30.201 -8.989 -5.874 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -27.395 -10.104 -6.256 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -28.500 -10.602 -4.990 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -30.536 -11.888 -5.547 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -27.665 -10.879 -8.526 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -31.491 -13.588 -7.038 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -28.612 -12.586 -10.019 1.00 21.41 H new ATOM 0 HZ PHE A 19 -30.531 -13.942 -9.277 1.00 4.25 H new ATOM 300 N PRO A 20 -29.296 -6.958 -4.526 1.00 74.32 N ATOM 301 CA PRO A 20 -28.846 -6.080 -3.441 1.00 62.04 C ATOM 302 C PRO A 20 -28.723 -6.845 -2.129 1.00 53.13 C ATOM 303 O PRO A 20 -28.019 -6.432 -1.209 1.00 3.14 O ATOM 304 CB PRO A 20 -29.950 -5.018 -3.339 1.00 73.25 C ATOM 305 CG PRO A 20 -30.756 -5.157 -4.589 1.00 43.34 C ATOM 306 CD PRO A 20 -30.642 -6.596 -4.999 1.00 54.10 C ATOM 0 HA PRO A 20 -27.862 -5.654 -3.636 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -30.567 -5.177 -2.455 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -29.525 -4.018 -3.255 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -31.796 -4.883 -4.415 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -30.379 -4.498 -5.371 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -31.414 -7.212 -4.537 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -30.740 -6.719 -6.078 1.00 54.10 H new ATOM 314 N GLU A 21 -29.399 -7.982 -2.074 1.00 43.25 N ATOM 315 CA GLU A 21 -29.417 -8.821 -0.885 1.00 14.45 C ATOM 316 C GLU A 21 -28.331 -9.889 -0.963 1.00 61.52 C ATOM 317 O GLU A 21 -28.323 -10.839 -0.178 1.00 44.12 O ATOM 318 CB GLU A 21 -30.786 -9.488 -0.745 1.00 73.54 C ATOM 319 CG GLU A 21 -31.948 -8.507 -0.749 1.00 25.00 C ATOM 320 CD GLU A 21 -31.917 -7.555 0.428 1.00 21.25 C ATOM 321 OE1 GLU A 21 -32.319 -7.968 1.533 1.00 2.14 O ATOM 322 OE2 GLU A 21 -31.508 -6.387 0.249 1.00 31.02 O ATOM 0 H GLU A 21 -29.950 -8.349 -2.850 1.00 43.25 H new ATOM 0 HA GLU A 21 -29.226 -8.193 -0.015 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -30.919 -10.198 -1.561 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -30.808 -10.060 0.183 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -31.929 -7.933 -1.675 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -32.886 -9.062 -0.737 1.00 25.00 H new ATOM 329 N ALA A 22 -27.422 -9.738 -1.917 1.00 13.31 N ATOM 330 CA ALA A 22 -26.341 -10.694 -2.094 1.00 45.34 C ATOM 331 C ALA A 22 -24.998 -10.084 -1.717 1.00 74.40 C ATOM 332 O ALA A 22 -24.778 -8.881 -1.882 1.00 53.45 O ATOM 333 CB ALA A 22 -26.302 -11.195 -3.527 1.00 43.43 C ATOM 0 H ALA A 22 -27.413 -8.962 -2.579 1.00 13.31 H new ATOM 0 HA ALA A 22 -26.531 -11.537 -1.429 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -25.487 -11.909 -3.641 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -27.247 -11.682 -3.768 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -26.144 -10.354 -4.202 1.00 43.43 H new ATOM 339 N GLU A 23 -24.108 -10.924 -1.217 1.00 31.23 N ATOM 340 CA GLU A 23 -22.775 -10.501 -0.829 1.00 5.24 C ATOM 341 C GLU A 23 -21.793 -10.797 -1.955 1.00 11.04 C ATOM 342 O GLU A 23 -21.567 -11.959 -2.300 1.00 5.32 O ATOM 343 CB GLU A 23 -22.344 -11.235 0.443 1.00 2.23 C ATOM 344 CG GLU A 23 -21.027 -10.739 1.020 1.00 32.11 C ATOM 345 CD GLU A 23 -21.131 -9.338 1.581 1.00 53.32 C ATOM 346 OE1 GLU A 23 -20.913 -8.369 0.824 1.00 74.04 O ATOM 347 OE2 GLU A 23 -21.431 -9.198 2.785 1.00 2.10 O ATOM 0 H GLU A 23 -24.289 -11.917 -1.069 1.00 31.23 H new ATOM 0 HA GLU A 23 -22.784 -9.429 -0.634 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -23.124 -11.126 1.196 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -22.257 -12.300 0.226 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -20.700 -11.419 1.807 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -20.263 -10.760 0.243 1.00 32.11 H new ATOM 354 N ILE A 24 -21.229 -9.752 -2.537 1.00 13.41 N ATOM 355 CA ILE A 24 -20.263 -9.915 -3.606 1.00 74.24 C ATOM 356 C ILE A 24 -18.854 -9.923 -3.040 1.00 61.32 C ATOM 357 O ILE A 24 -18.366 -8.904 -2.547 1.00 75.31 O ATOM 358 CB ILE A 24 -20.374 -8.787 -4.650 1.00 14.12 C ATOM 359 CG1 ILE A 24 -21.801 -8.691 -5.181 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.396 -9.026 -5.795 1.00 42.15 C ATOM 361 CD1 ILE A 24 -22.008 -7.547 -6.146 1.00 33.11 C ATOM 0 H ILE A 24 -21.424 -8.783 -2.286 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.478 -10.865 -4.096 1.00 74.24 H new ATOM 0 HB ILE A 24 -20.120 -7.843 -4.168 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -22.059 -9.626 -5.678 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -22.486 -8.576 -4.341 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -19.486 -8.221 -6.524 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.378 -9.050 -5.405 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -19.623 -9.978 -6.275 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.044 -7.539 -6.483 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -21.781 -6.605 -5.647 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -21.348 -7.671 -7.004 1.00 33.11 H new ATOM 373 N THR A 25 -18.209 -11.074 -3.093 1.00 14.02 N ATOM 374 CA THR A 25 -16.831 -11.181 -2.656 1.00 54.43 C ATOM 375 C THR A 25 -15.905 -11.256 -3.867 1.00 60.33 C ATOM 376 O THR A 25 -16.017 -12.163 -4.696 1.00 24.53 O ATOM 377 CB THR A 25 -16.626 -12.417 -1.762 1.00 3.22 C ATOM 378 OG1 THR A 25 -17.674 -12.488 -0.787 1.00 13.51 O ATOM 379 CG2 THR A 25 -15.281 -12.349 -1.056 1.00 30.53 C ATOM 0 H THR A 25 -18.617 -11.945 -3.433 1.00 14.02 H new ATOM 0 HA THR A 25 -16.591 -10.294 -2.070 1.00 54.43 H new ATOM 0 HB THR A 25 -16.648 -13.307 -2.391 1.00 3.22 H new ATOM 0 HG1 THR A 25 -17.541 -13.277 -0.221 1.00 13.51 H new ATOM 0 HG21 THR A 25 -15.154 -13.231 -0.429 1.00 30.53 H new ATOM 0 HG22 THR A 25 -14.482 -12.313 -1.797 1.00 30.53 H new ATOM 0 HG23 THR A 25 -15.241 -11.454 -0.435 1.00 30.53 H new ATOM 387 N VAL A 26 -14.989 -10.304 -3.966 1.00 74.44 N ATOM 388 CA VAL A 26 -14.093 -10.235 -5.108 1.00 13.43 C ATOM 389 C VAL A 26 -12.913 -11.177 -4.909 1.00 70.34 C ATOM 390 O VAL A 26 -12.125 -11.018 -3.980 1.00 52.34 O ATOM 391 CB VAL A 26 -13.568 -8.799 -5.329 1.00 24.42 C ATOM 392 CG1 VAL A 26 -12.650 -8.738 -6.544 1.00 41.35 C ATOM 393 CG2 VAL A 26 -14.724 -7.823 -5.486 1.00 35.24 C ATOM 0 H VAL A 26 -14.848 -9.571 -3.271 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.660 -10.535 -5.989 1.00 13.43 H new ATOM 0 HB VAL A 26 -12.991 -8.511 -4.450 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -12.293 -7.717 -6.679 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -11.800 -9.403 -6.391 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -13.200 -9.051 -7.432 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -14.333 -6.817 -5.641 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -15.330 -8.112 -6.344 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -15.338 -7.839 -4.586 1.00 35.24 H new ATOM 403 N THR A 27 -12.823 -12.178 -5.768 1.00 53.51 N ATOM 404 CA THR A 27 -11.744 -13.139 -5.708 1.00 3.34 C ATOM 405 C THR A 27 -10.778 -12.919 -6.865 1.00 43.20 C ATOM 406 O THR A 27 -11.159 -13.001 -8.045 1.00 52.12 O ATOM 407 CB THR A 27 -12.293 -14.576 -5.741 1.00 60.22 C ATOM 408 OG1 THR A 27 -13.332 -14.705 -4.760 1.00 55.14 O ATOM 409 CG2 THR A 27 -11.197 -15.594 -5.463 1.00 63.14 C ATOM 0 H THR A 27 -13.492 -12.344 -6.520 1.00 53.51 H new ATOM 0 HA THR A 27 -11.209 -12.996 -4.769 1.00 3.34 H new ATOM 0 HB THR A 27 -12.689 -14.772 -6.737 1.00 60.22 H new ATOM 0 HG1 THR A 27 -13.234 -14.001 -4.086 1.00 55.14 H new ATOM 0 HG21 THR A 27 -11.618 -16.599 -5.494 1.00 63.14 H new ATOM 0 HG22 THR A 27 -10.417 -15.504 -6.219 1.00 63.14 H new ATOM 0 HG23 THR A 27 -10.770 -15.409 -4.477 1.00 63.14 H new ATOM 417 N SER A 28 -9.531 -12.638 -6.519 1.00 23.54 N ATOM 418 CA SER A 28 -8.507 -12.376 -7.502 1.00 22.03 C ATOM 419 C SER A 28 -8.019 -13.684 -8.100 1.00 14.30 C ATOM 420 O SER A 28 -7.287 -14.445 -7.466 1.00 32.51 O ATOM 421 CB SER A 28 -7.354 -11.604 -6.855 1.00 23.21 C ATOM 422 OG SER A 28 -7.011 -12.155 -5.590 1.00 51.11 O ATOM 0 H SER A 28 -9.208 -12.587 -5.553 1.00 23.54 H new ATOM 0 HA SER A 28 -8.920 -11.766 -8.306 1.00 22.03 H new ATOM 0 HB2 SER A 28 -6.484 -11.626 -7.512 1.00 23.21 H new ATOM 0 HB3 SER A 28 -7.636 -10.558 -6.734 1.00 23.21 H new ATOM 0 HG SER A 28 -6.926 -13.128 -5.669 1.00 51.11 H new ATOM 428 N LEU A 29 -8.468 -13.953 -9.314 1.00 60.25 N ATOM 429 CA LEU A 29 -8.141 -15.190 -9.995 1.00 24.55 C ATOM 430 C LEU A 29 -6.651 -15.242 -10.306 1.00 12.10 C ATOM 431 O LEU A 29 -6.148 -14.461 -11.120 1.00 65.12 O ATOM 432 CB LEU A 29 -8.970 -15.306 -11.273 1.00 52.33 C ATOM 433 CG LEU A 29 -8.994 -16.690 -11.919 1.00 2.03 C ATOM 434 CD1 LEU A 29 -9.470 -17.731 -10.921 1.00 71.35 C ATOM 435 CD2 LEU A 29 -9.896 -16.672 -13.144 1.00 60.32 C ATOM 0 H LEU A 29 -9.065 -13.324 -9.851 1.00 60.25 H new ATOM 0 HA LEU A 29 -8.379 -16.034 -9.347 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -9.995 -15.012 -11.048 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -8.585 -14.591 -12.001 1.00 52.33 H new ATOM 0 HG LEU A 29 -7.983 -16.954 -12.231 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -9.482 -18.712 -11.396 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -8.795 -17.750 -10.065 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -10.476 -17.479 -10.584 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -9.909 -17.662 -13.601 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -10.908 -16.396 -12.847 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -9.518 -15.946 -13.863 1.00 60.32 H new ATOM 447 N VAL A 30 -5.949 -16.144 -9.629 1.00 4.40 N ATOM 448 CA VAL A 30 -4.516 -16.295 -9.819 1.00 1.44 C ATOM 449 C VAL A 30 -4.211 -16.726 -11.244 1.00 64.14 C ATOM 450 O VAL A 30 -4.797 -17.681 -11.759 1.00 15.34 O ATOM 451 CB VAL A 30 -3.908 -17.308 -8.827 1.00 71.32 C ATOM 452 CG1 VAL A 30 -2.405 -17.436 -9.036 1.00 52.04 C ATOM 453 CG2 VAL A 30 -4.215 -16.900 -7.395 1.00 30.41 C ATOM 0 H VAL A 30 -6.353 -16.782 -8.943 1.00 4.40 H new ATOM 0 HA VAL A 30 -4.061 -15.323 -9.628 1.00 1.44 H new ATOM 0 HB VAL A 30 -4.361 -18.282 -9.014 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -1.999 -18.156 -8.325 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -2.207 -17.778 -10.052 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -1.932 -16.466 -8.881 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -3.779 -17.626 -6.708 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -3.792 -15.915 -7.199 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -5.295 -16.867 -7.250 1.00 30.41 H new ATOM 463 N GLY A 31 -3.299 -16.006 -11.871 1.00 42.32 N ATOM 464 CA GLY A 31 -2.978 -16.245 -13.259 1.00 63.24 C ATOM 465 C GLY A 31 -2.875 -14.944 -14.019 1.00 24.53 C ATOM 466 O GLY A 31 -2.408 -14.916 -15.154 1.00 24.33 O ATOM 0 H GLY A 31 -2.769 -15.250 -11.437 1.00 42.32 H new ATOM 0 HA2 GLY A 31 -2.036 -16.788 -13.330 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -3.744 -16.875 -13.711 1.00 63.24 H new ATOM 470 N ASP A 32 -3.325 -13.871 -13.367 1.00 54.21 N ATOM 471 CA ASP A 32 -3.251 -12.512 -13.908 1.00 24.22 C ATOM 472 C ASP A 32 -4.049 -12.390 -15.198 1.00 21.34 C ATOM 473 O ASP A 32 -3.534 -12.624 -16.291 1.00 50.54 O ATOM 474 CB ASP A 32 -1.794 -12.083 -14.134 1.00 33.31 C ATOM 475 CG ASP A 32 -1.000 -12.017 -12.844 1.00 63.05 C ATOM 476 OD1 ASP A 32 -0.483 -13.065 -12.402 1.00 1.50 O ATOM 477 OD2 ASP A 32 -0.894 -10.919 -12.259 1.00 71.24 O ATOM 0 H ASP A 32 -3.754 -13.920 -12.443 1.00 54.21 H new ATOM 0 HA ASP A 32 -3.692 -11.842 -13.170 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -1.314 -12.784 -14.816 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -1.777 -11.106 -14.617 1.00 33.31 H new ATOM 482 N ASN A 33 -5.320 -12.038 -15.060 1.00 11.01 N ATOM 483 CA ASN A 33 -6.217 -11.917 -16.202 1.00 33.31 C ATOM 484 C ASN A 33 -7.402 -11.038 -15.807 1.00 73.15 C ATOM 485 O ASN A 33 -7.775 -11.002 -14.639 1.00 35.41 O ATOM 486 CB ASN A 33 -6.697 -13.315 -16.626 1.00 23.21 C ATOM 487 CG ASN A 33 -7.313 -13.367 -18.018 1.00 63.34 C ATOM 488 OD1 ASN A 33 -7.923 -12.411 -18.494 1.00 61.15 O ATOM 489 ND2 ASN A 33 -7.161 -14.502 -18.680 1.00 30.04 N ATOM 0 H ASN A 33 -5.756 -11.830 -14.162 1.00 11.01 H new ATOM 0 HA ASN A 33 -5.698 -11.459 -17.044 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -5.853 -14.004 -16.588 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -7.431 -13.670 -15.902 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -7.556 -14.604 -19.615 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -6.649 -15.275 -18.255 1.00 30.04 H new ATOM 496 N ASN A 34 -7.981 -10.331 -16.775 1.00 61.41 N ATOM 497 CA ASN A 34 -9.139 -9.466 -16.525 1.00 4.13 C ATOM 498 C ASN A 34 -10.345 -10.298 -16.081 1.00 1.44 C ATOM 499 O ASN A 34 -11.315 -9.777 -15.533 1.00 40.12 O ATOM 500 CB ASN A 34 -9.483 -8.663 -17.786 1.00 53.13 C ATOM 501 CG ASN A 34 -10.520 -7.581 -17.534 1.00 60.20 C ATOM 502 OD1 ASN A 34 -10.585 -7.004 -16.448 1.00 22.32 O ATOM 503 ND2 ASN A 34 -11.333 -7.291 -18.539 1.00 24.41 N ATOM 0 H ASN A 34 -7.667 -10.338 -17.746 1.00 61.41 H new ATOM 0 HA ASN A 34 -8.885 -8.771 -15.724 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -8.575 -8.205 -18.178 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -9.854 -9.343 -18.553 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -12.044 -6.568 -18.428 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -11.248 -7.791 -19.424 1.00 24.41 H new ATOM 510 N HIS A 35 -10.277 -11.601 -16.323 1.00 11.54 N ATOM 511 CA HIS A 35 -11.315 -12.511 -15.864 1.00 21.41 C ATOM 512 C HIS A 35 -11.028 -12.926 -14.425 1.00 54.15 C ATOM 513 O HIS A 35 -10.135 -13.731 -14.177 1.00 54.44 O ATOM 514 CB HIS A 35 -11.397 -13.762 -16.757 1.00 25.33 C ATOM 515 CG HIS A 35 -11.708 -13.478 -18.197 1.00 13.33 C ATOM 516 ND1 HIS A 35 -12.965 -13.627 -18.745 1.00 35.21 N ATOM 517 CD2 HIS A 35 -10.911 -13.066 -19.210 1.00 50.13 C ATOM 518 CE1 HIS A 35 -12.925 -13.325 -20.027 1.00 24.43 C ATOM 519 NE2 HIS A 35 -11.690 -12.978 -20.335 1.00 23.03 N ATOM 0 H HIS A 35 -9.516 -12.049 -16.833 1.00 11.54 H new ATOM 0 HA HIS A 35 -12.272 -11.993 -15.918 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -10.448 -14.296 -16.702 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -12.161 -14.429 -16.358 1.00 25.33 H new ATOM 0 HD1 HIS A 35 -13.797 -13.925 -18.236 1.00 35.21 H new ATOM 0 HD2 HIS A 35 -9.856 -12.847 -19.144 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -13.761 -13.356 -20.710 1.00 24.43 H new ATOM 528 N TYR A 36 -11.756 -12.344 -13.484 1.00 43.33 N ATOM 529 CA TYR A 36 -11.597 -12.680 -12.072 1.00 71.31 C ATOM 530 C TYR A 36 -12.812 -13.445 -11.568 1.00 40.50 C ATOM 531 O TYR A 36 -13.793 -13.613 -12.294 1.00 24.43 O ATOM 532 CB TYR A 36 -11.389 -11.436 -11.212 1.00 22.12 C ATOM 533 CG TYR A 36 -10.186 -10.604 -11.590 1.00 15.02 C ATOM 534 CD1 TYR A 36 -8.929 -10.900 -11.082 1.00 41.21 C ATOM 535 CD2 TYR A 36 -10.309 -9.514 -12.442 1.00 43.30 C ATOM 536 CE1 TYR A 36 -7.829 -10.136 -11.411 1.00 62.32 C ATOM 537 CE2 TYR A 36 -9.212 -8.746 -12.779 1.00 62.54 C ATOM 538 CZ TYR A 36 -7.975 -9.061 -12.259 1.00 1.54 C ATOM 539 OH TYR A 36 -6.880 -8.298 -12.589 1.00 12.31 O ATOM 0 H TYR A 36 -12.465 -11.635 -13.670 1.00 43.33 H new ATOM 0 HA TYR A 36 -10.708 -13.305 -11.988 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -12.281 -10.812 -11.277 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -11.290 -11.743 -10.171 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -8.810 -11.743 -10.418 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -11.278 -9.263 -12.847 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -6.858 -10.380 -11.006 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -9.323 -7.904 -13.446 1.00 62.54 H new ATOM 0 HH TYR A 36 -7.153 -7.580 -13.197 1.00 12.31 H new ATOM 549 N SER A 37 -12.741 -13.911 -10.328 1.00 2.23 N ATOM 550 CA SER A 37 -13.812 -14.711 -9.764 1.00 21.11 C ATOM 551 C SER A 37 -14.660 -13.887 -8.804 1.00 62.15 C ATOM 552 O SER A 37 -14.155 -13.334 -7.829 1.00 50.13 O ATOM 553 CB SER A 37 -13.231 -15.923 -9.034 1.00 62.23 C ATOM 554 OG SER A 37 -12.372 -16.664 -9.884 1.00 63.00 O ATOM 0 H SER A 37 -11.955 -13.748 -9.698 1.00 2.23 H new ATOM 0 HA SER A 37 -14.449 -15.052 -10.580 1.00 21.11 H new ATOM 0 HB2 SER A 37 -12.680 -15.592 -8.153 1.00 62.23 H new ATOM 0 HB3 SER A 37 -14.040 -16.563 -8.682 1.00 62.23 H new ATOM 0 HG SER A 37 -12.909 -17.196 -10.508 1.00 63.00 H new ATOM 560 N ILE A 38 -15.944 -13.781 -9.089 1.00 34.53 N ATOM 561 CA ILE A 38 -16.864 -13.139 -8.168 1.00 12.35 C ATOM 562 C ILE A 38 -17.646 -14.185 -7.389 1.00 21.51 C ATOM 563 O ILE A 38 -18.370 -15.001 -7.963 1.00 24.12 O ATOM 564 CB ILE A 38 -17.841 -12.169 -8.876 1.00 73.40 C ATOM 565 CG1 ILE A 38 -18.587 -12.868 -10.021 1.00 24.33 C ATOM 566 CG2 ILE A 38 -17.093 -10.946 -9.383 1.00 23.22 C ATOM 567 CD1 ILE A 38 -19.615 -11.989 -10.705 1.00 24.22 C ATOM 0 H ILE A 38 -16.373 -14.129 -9.947 1.00 34.53 H new ATOM 0 HA ILE A 38 -16.260 -12.544 -7.483 1.00 12.35 H new ATOM 0 HB ILE A 38 -18.585 -11.844 -8.149 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -17.862 -13.208 -10.761 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -19.084 -13.756 -9.630 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -17.792 -10.272 -9.879 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -16.626 -10.431 -8.543 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -16.325 -11.257 -10.091 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -20.101 -12.551 -11.503 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -20.362 -11.670 -9.978 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -19.122 -11.113 -11.127 1.00 24.22 H new ATOM 579 N LYS A 39 -17.472 -14.192 -6.080 1.00 62.41 N ATOM 580 CA LYS A 39 -18.223 -15.099 -5.237 1.00 70.34 C ATOM 581 C LYS A 39 -19.523 -14.443 -4.810 1.00 25.51 C ATOM 582 O LYS A 39 -19.529 -13.497 -4.020 1.00 73.43 O ATOM 583 CB LYS A 39 -17.407 -15.543 -4.021 1.00 35.52 C ATOM 584 CG LYS A 39 -16.157 -16.326 -4.394 1.00 1.32 C ATOM 585 CD LYS A 39 -15.459 -16.920 -3.175 1.00 0.22 C ATOM 586 CE LYS A 39 -15.003 -15.847 -2.195 1.00 64.33 C ATOM 587 NZ LYS A 39 -14.145 -16.404 -1.110 1.00 52.43 N ATOM 0 H LYS A 39 -16.822 -13.584 -5.582 1.00 62.41 H new ATOM 0 HA LYS A 39 -18.451 -15.996 -5.813 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -17.119 -14.664 -3.444 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -18.034 -16.157 -3.375 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -16.425 -17.127 -5.082 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -15.465 -15.670 -4.922 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -16.137 -17.608 -2.669 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -14.597 -17.503 -3.500 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -14.451 -15.077 -2.733 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -15.876 -15.365 -1.755 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -13.858 -15.639 -0.467 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -14.679 -17.121 -0.579 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -13.299 -16.841 -1.527 1.00 52.43 H new ATOM 601 N VAL A 40 -20.614 -14.939 -5.368 1.00 63.22 N ATOM 602 CA VAL A 40 -21.930 -14.401 -5.095 1.00 35.24 C ATOM 603 C VAL A 40 -22.599 -15.202 -3.990 1.00 33.00 C ATOM 604 O VAL A 40 -23.043 -16.332 -4.203 1.00 4.22 O ATOM 605 CB VAL A 40 -22.816 -14.420 -6.362 1.00 25.43 C ATOM 606 CG1 VAL A 40 -24.203 -13.872 -6.066 1.00 2.44 C ATOM 607 CG2 VAL A 40 -22.158 -13.635 -7.486 1.00 42.04 C ATOM 0 H VAL A 40 -20.610 -15.723 -6.020 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.812 -13.366 -4.776 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.925 -15.456 -6.683 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.805 -13.897 -6.974 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -24.679 -14.482 -5.298 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -24.120 -12.844 -5.713 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.796 -13.660 -8.369 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -22.013 -12.601 -7.172 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -21.192 -14.080 -7.724 1.00 42.04 H new ATOM 617 N ILE A 41 -22.641 -14.627 -2.806 1.00 54.23 N ATOM 618 CA ILE A 41 -23.254 -15.286 -1.672 1.00 33.03 C ATOM 619 C ILE A 41 -24.627 -14.698 -1.404 1.00 40.43 C ATOM 620 O ILE A 41 -24.813 -13.486 -1.442 1.00 0.12 O ATOM 621 CB ILE A 41 -22.375 -15.175 -0.412 1.00 63.32 C ATOM 622 CG1 ILE A 41 -21.014 -15.824 -0.676 1.00 72.31 C ATOM 623 CG2 ILE A 41 -23.059 -15.819 0.791 1.00 50.41 C ATOM 624 CD1 ILE A 41 -20.117 -15.856 0.536 1.00 73.31 C ATOM 0 H ILE A 41 -22.257 -13.704 -2.604 1.00 54.23 H new ATOM 0 HA ILE A 41 -23.357 -16.343 -1.916 1.00 33.03 H new ATOM 0 HB ILE A 41 -22.226 -14.121 -0.180 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -21.169 -16.843 -1.030 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -20.511 -15.281 -1.476 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -22.417 -15.727 1.667 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -24.008 -15.317 0.982 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -23.241 -16.874 0.584 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -19.170 -16.329 0.276 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -19.932 -14.838 0.878 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -20.600 -16.424 1.331 1.00 73.31 H new ATOM 636 N SER A 42 -25.583 -15.566 -1.152 1.00 20.34 N ATOM 637 CA SER A 42 -26.954 -15.147 -0.936 1.00 24.41 C ATOM 638 C SER A 42 -27.740 -16.250 -0.253 1.00 53.10 C ATOM 639 O SER A 42 -27.476 -17.436 -0.465 1.00 71.22 O ATOM 640 CB SER A 42 -27.612 -14.778 -2.274 1.00 15.34 C ATOM 641 OG SER A 42 -28.950 -14.339 -2.091 1.00 44.11 O ATOM 0 H SER A 42 -25.436 -16.573 -1.091 1.00 20.34 H new ATOM 0 HA SER A 42 -26.953 -14.268 -0.291 1.00 24.41 H new ATOM 0 HB2 SER A 42 -27.034 -13.993 -2.761 1.00 15.34 H new ATOM 0 HB3 SER A 42 -27.599 -15.642 -2.938 1.00 15.34 H new ATOM 0 HG SER A 42 -29.341 -14.110 -2.960 1.00 44.11 H new ATOM 647 N SER A 43 -28.699 -15.852 0.568 1.00 30.43 N ATOM 648 CA SER A 43 -29.566 -16.788 1.264 1.00 73.12 C ATOM 649 C SER A 43 -30.405 -17.601 0.272 1.00 23.01 C ATOM 650 O SER A 43 -30.913 -18.671 0.603 1.00 1.22 O ATOM 651 CB SER A 43 -30.461 -16.020 2.237 1.00 14.53 C ATOM 652 OG SER A 43 -30.947 -14.826 1.640 1.00 21.44 O ATOM 0 H SER A 43 -28.898 -14.872 0.770 1.00 30.43 H new ATOM 0 HA SER A 43 -28.952 -17.493 1.825 1.00 73.12 H new ATOM 0 HB2 SER A 43 -31.299 -16.648 2.540 1.00 14.53 H new ATOM 0 HB3 SER A 43 -29.901 -15.778 3.140 1.00 14.53 H new ATOM 0 HG SER A 43 -31.519 -14.350 2.278 1.00 21.44 H new ATOM 658 N GLN A 44 -30.524 -17.096 -0.953 1.00 22.21 N ATOM 659 CA GLN A 44 -31.260 -17.792 -2.003 1.00 35.52 C ATOM 660 C GLN A 44 -30.503 -19.037 -2.469 1.00 53.44 C ATOM 661 O GLN A 44 -31.076 -19.923 -3.105 1.00 5.22 O ATOM 662 CB GLN A 44 -31.516 -16.854 -3.185 1.00 53.01 C ATOM 663 CG GLN A 44 -32.403 -15.666 -2.834 1.00 53.14 C ATOM 664 CD GLN A 44 -32.614 -14.726 -4.007 1.00 12.44 C ATOM 665 OE1 GLN A 44 -32.589 -15.141 -5.167 1.00 4.51 O ATOM 666 NE2 GLN A 44 -32.840 -13.452 -3.716 1.00 42.54 N ATOM 0 H GLN A 44 -30.119 -16.206 -1.243 1.00 22.21 H new ATOM 0 HA GLN A 44 -32.218 -18.110 -1.592 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -30.561 -16.486 -3.561 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -31.981 -17.419 -3.993 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -33.370 -16.030 -2.487 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -31.954 -15.114 -2.008 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -32.853 -13.146 -2.743 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -33.001 -12.779 -4.465 1.00 42.54 H new ATOM 675 N PHE A 45 -29.214 -19.104 -2.141 1.00 2.34 N ATOM 676 CA PHE A 45 -28.390 -20.256 -2.493 1.00 54.05 C ATOM 677 C PHE A 45 -28.301 -21.227 -1.317 1.00 52.21 C ATOM 678 O PHE A 45 -27.544 -22.199 -1.350 1.00 54.32 O ATOM 679 CB PHE A 45 -26.982 -19.813 -2.904 1.00 21.10 C ATOM 680 CG PHE A 45 -26.941 -18.984 -4.156 1.00 62.12 C ATOM 681 CD1 PHE A 45 -27.274 -19.537 -5.381 1.00 10.23 C ATOM 682 CD2 PHE A 45 -26.554 -17.655 -4.109 1.00 52.02 C ATOM 683 CE1 PHE A 45 -27.225 -18.780 -6.538 1.00 25.21 C ATOM 684 CE2 PHE A 45 -26.505 -16.891 -5.261 1.00 22.14 C ATOM 685 CZ PHE A 45 -26.840 -17.453 -6.477 1.00 32.51 C ATOM 0 H PHE A 45 -28.718 -18.373 -1.631 1.00 2.34 H new ATOM 0 HA PHE A 45 -28.859 -20.760 -3.338 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -26.540 -19.241 -2.088 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -26.361 -20.698 -3.046 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -27.576 -20.573 -5.434 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -26.287 -17.210 -3.162 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -27.487 -19.224 -7.487 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -26.205 -15.855 -5.209 1.00 22.14 H new ATOM 0 HZ PHE A 45 -26.801 -16.858 -7.378 1.00 32.51 H new ATOM 695 N GLN A 46 -29.071 -20.950 -0.276 1.00 72.45 N ATOM 696 CA GLN A 46 -29.100 -21.799 0.904 1.00 75.13 C ATOM 697 C GLN A 46 -30.087 -22.939 0.696 1.00 33.34 C ATOM 698 O GLN A 46 -31.209 -22.717 0.239 1.00 13.13 O ATOM 699 CB GLN A 46 -29.487 -20.972 2.132 1.00 64.41 C ATOM 700 CG GLN A 46 -29.508 -21.758 3.431 1.00 21.44 C ATOM 701 CD GLN A 46 -29.923 -20.903 4.607 1.00 44.02 C ATOM 702 OE1 GLN A 46 -31.104 -20.798 4.928 1.00 34.13 O ATOM 703 NE2 GLN A 46 -28.953 -20.277 5.255 1.00 64.01 N ATOM 0 H GLN A 46 -29.687 -20.139 -0.225 1.00 72.45 H new ATOM 0 HA GLN A 46 -28.109 -22.221 1.068 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -28.786 -20.143 2.233 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -30.473 -20.538 1.967 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -30.195 -22.599 3.334 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -28.518 -22.175 3.618 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -27.984 -20.391 4.957 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -29.174 -19.681 6.053 1.00 64.01 H new ATOM 712 N GLY A 47 -29.655 -24.157 0.998 1.00 61.23 N ATOM 713 CA GLY A 47 -30.521 -25.313 0.857 1.00 30.52 C ATOM 714 C GLY A 47 -30.606 -25.812 -0.571 1.00 5.25 C ATOM 715 O GLY A 47 -31.263 -26.814 -0.847 1.00 33.03 O ATOM 0 H GLY A 47 -28.717 -24.366 1.339 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -30.154 -26.116 1.496 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -31.521 -25.057 1.208 1.00 30.52 H new ATOM 719 N LYS A 48 -29.945 -25.112 -1.480 1.00 74.22 N ATOM 720 CA LYS A 48 -29.951 -25.483 -2.888 1.00 25.13 C ATOM 721 C LYS A 48 -28.791 -26.418 -3.199 1.00 55.24 C ATOM 722 O LYS A 48 -27.757 -26.385 -2.532 1.00 42.13 O ATOM 723 CB LYS A 48 -29.859 -24.238 -3.776 1.00 2.30 C ATOM 724 CG LYS A 48 -30.920 -23.189 -3.480 1.00 31.41 C ATOM 725 CD LYS A 48 -32.321 -23.741 -3.677 1.00 43.32 C ATOM 726 CE LYS A 48 -33.384 -22.681 -3.432 1.00 50.32 C ATOM 727 NZ LYS A 48 -33.395 -22.207 -2.021 1.00 10.22 N ATOM 0 H LYS A 48 -29.395 -24.280 -1.267 1.00 74.22 H new ATOM 0 HA LYS A 48 -30.889 -25.997 -3.096 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -28.874 -23.788 -3.653 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -29.943 -24.541 -4.820 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -30.808 -22.836 -2.455 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -30.773 -22.328 -4.131 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -32.420 -24.128 -4.691 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -32.480 -24.579 -2.999 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -33.209 -21.834 -4.096 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -34.364 -23.087 -3.684 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -34.341 -22.352 -1.613 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -32.695 -22.743 -1.469 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -33.157 -21.195 -1.993 1.00 10.22 H new ATOM 741 N SER A 49 -28.973 -27.244 -4.214 1.00 13.41 N ATOM 742 CA SER A 49 -27.939 -28.159 -4.653 1.00 51.51 C ATOM 743 C SER A 49 -26.949 -27.448 -5.575 1.00 12.24 C ATOM 744 O SER A 49 -27.331 -26.565 -6.349 1.00 74.40 O ATOM 745 CB SER A 49 -28.594 -29.351 -5.356 1.00 73.24 C ATOM 746 OG SER A 49 -29.788 -28.949 -6.011 1.00 23.44 O ATOM 0 H SER A 49 -29.837 -27.298 -4.753 1.00 13.41 H new ATOM 0 HA SER A 49 -27.378 -28.520 -3.791 1.00 51.51 H new ATOM 0 HB2 SER A 49 -27.901 -29.779 -6.081 1.00 73.24 H new ATOM 0 HB3 SER A 49 -28.817 -30.132 -4.629 1.00 73.24 H new ATOM 0 HG SER A 49 -29.676 -29.041 -6.980 1.00 23.44 H new ATOM 752 N LYS A 50 -25.675 -27.826 -5.476 1.00 4.42 N ATOM 753 CA LYS A 50 -24.618 -27.209 -6.275 1.00 71.43 C ATOM 754 C LYS A 50 -24.893 -27.341 -7.769 1.00 23.45 C ATOM 755 O LYS A 50 -24.564 -26.444 -8.548 1.00 32.41 O ATOM 756 CB LYS A 50 -23.260 -27.835 -5.951 1.00 4.10 C ATOM 757 CG LYS A 50 -22.749 -27.514 -4.555 1.00 64.11 C ATOM 758 CD LYS A 50 -21.383 -28.139 -4.299 1.00 23.40 C ATOM 759 CE LYS A 50 -21.430 -29.658 -4.371 1.00 14.31 C ATOM 760 NZ LYS A 50 -22.292 -30.236 -3.309 1.00 52.11 N ATOM 0 H LYS A 50 -25.349 -28.560 -4.847 1.00 4.42 H new ATOM 0 HA LYS A 50 -24.600 -26.150 -6.019 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -23.335 -28.917 -6.060 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -22.529 -27.491 -6.683 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -22.684 -26.433 -4.431 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -23.461 -27.878 -3.814 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -20.669 -27.763 -5.032 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -21.023 -27.833 -3.317 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -21.804 -29.964 -5.348 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -20.420 -30.057 -4.276 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -22.166 -31.268 -3.283 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -22.027 -29.832 -2.388 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -23.288 -30.014 -3.511 1.00 52.11 H new ATOM 774 N LEU A 51 -25.499 -28.458 -8.158 1.00 35.35 N ATOM 775 CA LEU A 51 -25.796 -28.729 -9.561 1.00 23.42 C ATOM 776 C LEU A 51 -26.617 -27.595 -10.170 1.00 5.20 C ATOM 777 O LEU A 51 -26.237 -27.017 -11.191 1.00 63.51 O ATOM 778 CB LEU A 51 -26.567 -30.046 -9.692 1.00 12.31 C ATOM 779 CG LEU A 51 -25.874 -31.274 -9.098 1.00 32.31 C ATOM 780 CD1 LEU A 51 -26.781 -32.490 -9.186 1.00 43.12 C ATOM 781 CD2 LEU A 51 -24.558 -31.545 -9.809 1.00 32.51 C ATOM 0 H LEU A 51 -25.796 -29.194 -7.518 1.00 35.35 H new ATOM 0 HA LEU A 51 -24.851 -28.806 -10.099 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -27.537 -29.929 -9.210 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -26.757 -30.233 -10.749 1.00 12.31 H new ATOM 0 HG LEU A 51 -25.662 -31.072 -8.048 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -26.273 -33.355 -8.759 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -27.700 -32.299 -8.632 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -27.022 -32.690 -10.230 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -24.082 -32.422 -9.371 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -24.747 -31.725 -10.867 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -23.901 -30.682 -9.699 1.00 32.51 H new ATOM 793 N GLU A 52 -27.731 -27.279 -9.521 1.00 71.20 N ATOM 794 CA GLU A 52 -28.632 -26.216 -9.967 1.00 3.31 C ATOM 795 C GLU A 52 -27.899 -24.887 -10.104 1.00 30.12 C ATOM 796 O GLU A 52 -28.070 -24.173 -11.092 1.00 1.51 O ATOM 797 CB GLU A 52 -29.802 -26.070 -8.983 1.00 30.33 C ATOM 798 CG GLU A 52 -30.914 -27.090 -9.190 1.00 23.32 C ATOM 799 CD GLU A 52 -30.397 -28.489 -9.473 1.00 25.24 C ATOM 800 OE1 GLU A 52 -29.770 -29.095 -8.577 1.00 33.02 O ATOM 801 OE2 GLU A 52 -30.601 -28.977 -10.604 1.00 61.13 O ATOM 0 H GLU A 52 -28.038 -27.751 -8.670 1.00 71.20 H new ATOM 0 HA GLU A 52 -29.016 -26.492 -10.949 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -29.422 -26.163 -7.966 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -30.220 -25.068 -9.077 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -31.545 -27.116 -8.301 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -31.544 -26.768 -10.019 1.00 23.32 H new ATOM 808 N GLN A 53 -27.072 -24.576 -9.119 1.00 12.11 N ATOM 809 CA GLN A 53 -26.332 -23.323 -9.103 1.00 42.34 C ATOM 810 C GLN A 53 -25.397 -23.223 -10.304 1.00 43.01 C ATOM 811 O GLN A 53 -25.372 -22.208 -10.998 1.00 50.30 O ATOM 812 CB GLN A 53 -25.542 -23.203 -7.804 1.00 43.04 C ATOM 813 CG GLN A 53 -26.421 -23.257 -6.571 1.00 62.32 C ATOM 814 CD GLN A 53 -25.629 -23.361 -5.289 1.00 34.52 C ATOM 815 OE1 GLN A 53 -24.508 -22.863 -5.190 1.00 70.33 O ATOM 816 NE2 GLN A 53 -26.207 -24.023 -4.300 1.00 33.33 N ATOM 0 H GLN A 53 -26.895 -25.178 -8.315 1.00 12.11 H new ATOM 0 HA GLN A 53 -27.046 -22.501 -9.164 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -24.808 -24.007 -7.756 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -24.987 -22.265 -7.808 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -27.044 -22.363 -6.536 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -27.093 -24.112 -6.647 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -27.138 -24.419 -4.427 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -25.721 -24.137 -3.410 1.00 33.33 H new ATOM 825 N HIS A 54 -24.646 -24.294 -10.562 1.00 11.40 N ATOM 826 CA HIS A 54 -23.724 -24.316 -11.698 1.00 50.22 C ATOM 827 C HIS A 54 -24.502 -24.219 -13.001 1.00 75.33 C ATOM 828 O HIS A 54 -24.089 -23.523 -13.925 1.00 22.05 O ATOM 829 CB HIS A 54 -22.858 -25.580 -11.703 1.00 60.03 C ATOM 830 CG HIS A 54 -22.007 -25.741 -10.484 1.00 0.23 C ATOM 831 ND1 HIS A 54 -21.974 -26.901 -9.752 1.00 44.12 N ATOM 832 CD2 HIS A 54 -21.152 -24.887 -9.873 1.00 72.31 C ATOM 833 CE1 HIS A 54 -21.147 -26.758 -8.736 1.00 21.24 C ATOM 834 NE2 HIS A 54 -20.628 -25.546 -8.785 1.00 73.11 N ATOM 0 H HIS A 54 -24.657 -25.149 -10.006 1.00 11.40 H new ATOM 0 HA HIS A 54 -23.060 -23.457 -11.602 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -23.506 -26.451 -11.798 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -22.215 -25.563 -12.583 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -20.924 -23.878 -10.182 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -20.930 -27.507 -7.989 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -19.951 -25.162 -8.126 1.00 73.11 H new ATOM 843 N ARG A 55 -25.633 -24.915 -13.057 1.00 60.31 N ATOM 844 CA ARG A 55 -26.522 -24.855 -14.213 1.00 40.14 C ATOM 845 C ARG A 55 -26.951 -23.431 -14.492 1.00 43.34 C ATOM 846 O ARG A 55 -26.894 -22.964 -15.630 1.00 3.25 O ATOM 847 CB ARG A 55 -27.766 -25.704 -13.983 1.00 52.11 C ATOM 848 CG ARG A 55 -27.525 -27.191 -14.157 1.00 35.13 C ATOM 849 CD ARG A 55 -28.762 -28.010 -13.829 1.00 61.41 C ATOM 850 NE ARG A 55 -29.886 -27.691 -14.707 1.00 74.14 N ATOM 851 CZ ARG A 55 -30.335 -28.499 -15.664 1.00 14.23 C ATOM 852 NH1 ARG A 55 -29.726 -29.656 -15.901 1.00 74.13 N ATOM 853 NH2 ARG A 55 -31.393 -28.143 -16.379 1.00 52.14 N ATOM 0 H ARG A 55 -25.957 -25.531 -12.311 1.00 60.31 H new ATOM 0 HA ARG A 55 -25.968 -25.242 -15.069 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -28.140 -25.520 -12.976 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -28.546 -25.387 -14.676 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -27.220 -27.391 -15.184 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -26.702 -27.503 -13.513 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -28.526 -29.071 -13.915 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -29.050 -27.830 -12.793 1.00 61.41 H new ATOM 0 HE ARG A 55 -30.355 -26.794 -14.578 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -28.912 -29.927 -15.349 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -30.072 -30.274 -16.635 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -31.858 -27.254 -16.194 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -31.742 -28.758 -17.114 1.00 52.14 H new ATOM 867 N MET A 56 -27.386 -22.748 -13.446 1.00 5.13 N ATOM 868 CA MET A 56 -27.832 -21.376 -13.576 1.00 13.24 C ATOM 869 C MET A 56 -26.685 -20.491 -14.053 1.00 73.24 C ATOM 870 O MET A 56 -26.883 -19.590 -14.870 1.00 12.14 O ATOM 871 CB MET A 56 -28.393 -20.856 -12.251 1.00 12.34 C ATOM 872 CG MET A 56 -29.681 -21.537 -11.825 1.00 75.15 C ATOM 873 SD MET A 56 -30.245 -21.003 -10.196 1.00 61.02 S ATOM 874 CE MET A 56 -30.487 -19.248 -10.471 1.00 11.14 C ATOM 0 H MET A 56 -27.439 -23.123 -12.499 1.00 5.13 H new ATOM 0 HA MET A 56 -28.631 -21.345 -14.317 1.00 13.24 H new ATOM 0 HB2 MET A 56 -27.644 -20.993 -11.471 1.00 12.34 H new ATOM 0 HB3 MET A 56 -28.570 -19.784 -12.337 1.00 12.34 H new ATOM 0 HG2 MET A 56 -30.458 -21.328 -12.560 1.00 75.15 H new ATOM 0 HG3 MET A 56 -29.531 -22.617 -11.817 1.00 75.15 H new ATOM 0 HE1 MET A 56 -31.381 -18.917 -9.943 1.00 11.14 H new ATOM 0 HE2 MET A 56 -29.622 -18.699 -10.099 1.00 11.14 H new ATOM 0 HE3 MET A 56 -30.605 -19.060 -11.538 1.00 11.14 H new ATOM 884 N ILE A 57 -25.485 -20.765 -13.548 1.00 55.45 N ATOM 885 CA ILE A 57 -24.285 -20.056 -13.975 1.00 13.21 C ATOM 886 C ILE A 57 -24.060 -20.220 -15.480 1.00 34.43 C ATOM 887 O ILE A 57 -23.914 -19.233 -16.198 1.00 62.10 O ATOM 888 CB ILE A 57 -23.035 -20.541 -13.201 1.00 42.03 C ATOM 889 CG1 ILE A 57 -23.159 -20.170 -11.720 1.00 2.03 C ATOM 890 CG2 ILE A 57 -21.763 -19.950 -13.796 1.00 32.31 C ATOM 891 CD1 ILE A 57 -21.991 -20.629 -10.872 1.00 2.10 C ATOM 0 H ILE A 57 -25.319 -21.478 -12.838 1.00 55.45 H new ATOM 0 HA ILE A 57 -24.438 -19.000 -13.753 1.00 13.21 H new ATOM 0 HB ILE A 57 -22.974 -21.626 -13.289 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -23.255 -19.088 -11.634 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -24.076 -20.604 -11.323 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -20.899 -20.306 -13.235 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -21.671 -20.258 -14.837 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -21.807 -18.862 -13.742 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -22.153 -20.329 -9.837 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -21.906 -21.714 -10.926 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -21.072 -20.175 -11.242 1.00 2.10 H new ATOM 903 N TYR A 58 -24.059 -21.466 -15.952 1.00 15.22 N ATOM 904 CA TYR A 58 -23.867 -21.746 -17.377 1.00 4.35 C ATOM 905 C TYR A 58 -24.945 -21.058 -18.210 1.00 73.40 C ATOM 906 O TYR A 58 -24.676 -20.537 -19.291 1.00 43.54 O ATOM 907 CB TYR A 58 -23.899 -23.256 -17.650 1.00 3.41 C ATOM 908 CG TYR A 58 -22.874 -24.058 -16.874 1.00 74.31 C ATOM 909 CD1 TYR A 58 -21.569 -23.606 -16.724 1.00 21.34 C ATOM 910 CD2 TYR A 58 -23.214 -25.279 -16.299 1.00 0.24 C ATOM 911 CE1 TYR A 58 -20.634 -24.343 -16.018 1.00 75.23 C ATOM 912 CE2 TYR A 58 -22.287 -26.020 -15.592 1.00 44.13 C ATOM 913 CZ TYR A 58 -21.000 -25.551 -15.454 1.00 54.23 C ATOM 914 OH TYR A 58 -20.075 -26.292 -14.750 1.00 40.03 O ATOM 0 H TYR A 58 -24.188 -22.295 -15.373 1.00 15.22 H new ATOM 0 HA TYR A 58 -22.889 -21.357 -17.661 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -24.893 -23.634 -17.412 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -23.741 -23.423 -18.716 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -21.279 -22.664 -17.166 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -24.221 -25.654 -16.408 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -19.624 -23.976 -15.908 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -22.571 -26.963 -15.149 1.00 44.13 H new ATOM 0 HH TYR A 58 -20.496 -27.113 -14.419 1.00 40.03 H new ATOM 924 N LYS A 59 -26.161 -21.050 -17.683 1.00 73.42 N ATOM 925 CA LYS A 59 -27.305 -20.458 -18.364 1.00 51.11 C ATOM 926 C LYS A 59 -27.131 -18.947 -18.543 1.00 44.10 C ATOM 927 O LYS A 59 -27.314 -18.416 -19.640 1.00 22.41 O ATOM 928 CB LYS A 59 -28.581 -20.744 -17.564 1.00 13.12 C ATOM 929 CG LYS A 59 -29.846 -20.193 -18.200 1.00 73.15 C ATOM 930 CD LYS A 59 -31.041 -20.340 -17.271 1.00 61.04 C ATOM 931 CE LYS A 59 -30.847 -19.544 -15.990 1.00 2.45 C ATOM 932 NZ LYS A 59 -32.011 -19.662 -15.075 1.00 73.34 N ATOM 0 H LYS A 59 -26.383 -21.453 -16.773 1.00 73.42 H new ATOM 0 HA LYS A 59 -27.380 -20.905 -19.355 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -28.687 -21.822 -17.443 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -28.474 -20.320 -16.566 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -29.703 -19.141 -18.448 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -30.043 -20.717 -19.135 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -31.943 -20.000 -17.779 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -31.189 -21.392 -17.029 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -29.949 -19.893 -15.480 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -30.686 -18.495 -16.237 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -31.835 -19.104 -14.215 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -32.864 -19.305 -15.551 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -32.150 -20.660 -14.817 1.00 73.34 H new ATOM 946 N VAL A 60 -26.775 -18.261 -17.464 1.00 40.42 N ATOM 947 CA VAL A 60 -26.692 -16.804 -17.476 1.00 13.04 C ATOM 948 C VAL A 60 -25.367 -16.313 -18.065 1.00 62.12 C ATOM 949 O VAL A 60 -25.344 -15.375 -18.864 1.00 21.20 O ATOM 950 CB VAL A 60 -26.862 -16.220 -16.054 1.00 40.25 C ATOM 951 CG1 VAL A 60 -26.762 -14.701 -16.071 1.00 54.03 C ATOM 952 CG2 VAL A 60 -28.190 -16.654 -15.451 1.00 74.32 C ATOM 0 H VAL A 60 -26.539 -18.689 -16.569 1.00 40.42 H new ATOM 0 HA VAL A 60 -27.507 -16.454 -18.109 1.00 13.04 H new ATOM 0 HB VAL A 60 -26.054 -16.608 -15.434 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -26.885 -14.317 -15.058 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -25.786 -14.405 -16.455 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -27.543 -14.292 -16.712 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -28.290 -16.233 -14.451 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -29.008 -16.299 -16.078 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -28.224 -17.742 -15.392 1.00 74.32 H new ATOM 962 N LEU A 61 -24.270 -16.953 -17.681 1.00 32.20 N ATOM 963 CA LEU A 61 -22.943 -16.512 -18.102 1.00 23.13 C ATOM 964 C LEU A 61 -22.617 -16.975 -19.518 1.00 43.05 C ATOM 965 O LEU A 61 -21.770 -16.373 -20.184 1.00 70.44 O ATOM 966 CB LEU A 61 -21.860 -17.000 -17.127 1.00 21.35 C ATOM 967 CG LEU A 61 -21.702 -16.176 -15.841 1.00 63.31 C ATOM 968 CD1 LEU A 61 -21.415 -14.721 -16.170 1.00 14.42 C ATOM 969 CD2 LEU A 61 -22.938 -16.289 -14.961 1.00 52.20 C ATOM 0 H LEU A 61 -24.271 -17.777 -17.080 1.00 32.20 H new ATOM 0 HA LEU A 61 -22.955 -15.422 -18.095 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -22.083 -18.031 -16.851 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -20.904 -17.010 -17.650 1.00 21.35 H new ATOM 0 HG LEU A 61 -20.855 -16.580 -15.286 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -21.306 -14.154 -15.246 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -20.493 -14.654 -16.748 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -22.239 -14.310 -16.753 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -22.797 -15.695 -14.058 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -23.807 -15.920 -15.506 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -23.096 -17.332 -14.688 1.00 52.20 H new ATOM 981 N ASP A 62 -23.277 -18.051 -19.958 1.00 51.31 N ATOM 982 CA ASP A 62 -23.122 -18.597 -21.318 1.00 11.45 C ATOM 983 C ASP A 62 -21.813 -19.353 -21.484 1.00 35.13 C ATOM 984 O ASP A 62 -21.785 -20.469 -22.005 1.00 45.22 O ATOM 985 CB ASP A 62 -23.235 -17.492 -22.377 1.00 14.42 C ATOM 986 CG ASP A 62 -22.902 -17.972 -23.776 1.00 30.25 C ATOM 987 OD1 ASP A 62 -21.709 -17.955 -24.149 1.00 3.33 O ATOM 988 OD2 ASP A 62 -23.831 -18.348 -24.520 1.00 64.21 O ATOM 0 H ASP A 62 -23.937 -18.573 -19.382 1.00 51.31 H new ATOM 0 HA ASP A 62 -23.937 -19.306 -21.466 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -24.249 -17.091 -22.369 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -22.566 -16.673 -22.112 1.00 14.42 H new ATOM 993 N GLY A 63 -20.747 -18.735 -21.036 1.00 4.15 N ATOM 994 CA GLY A 63 -19.429 -19.321 -21.147 1.00 43.43 C ATOM 995 C GLY A 63 -19.250 -20.517 -20.234 1.00 33.13 C ATOM 996 O GLY A 63 -18.932 -20.363 -19.055 1.00 43.24 O ATOM 0 H GLY A 63 -20.765 -17.819 -20.587 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -19.256 -19.626 -22.179 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -18.678 -18.568 -20.907 1.00 43.43 H new ATOM 1000 N LEU A 64 -19.457 -21.708 -20.782 1.00 51.34 N ATOM 1001 CA LEU A 64 -19.296 -22.943 -20.027 1.00 3.45 C ATOM 1002 C LEU A 64 -17.847 -23.420 -20.060 1.00 42.35 C ATOM 1003 O LEU A 64 -17.540 -24.557 -19.693 1.00 0.34 O ATOM 1004 CB LEU A 64 -20.249 -24.024 -20.563 1.00 54.54 C ATOM 1005 CG LEU A 64 -20.333 -24.158 -22.091 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -19.089 -24.823 -22.665 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -21.578 -24.940 -22.481 1.00 63.23 C ATOM 0 H LEU A 64 -19.738 -21.844 -21.753 1.00 51.34 H new ATOM 0 HA LEU A 64 -19.553 -22.747 -18.986 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -19.942 -24.986 -20.151 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -21.249 -23.818 -20.182 1.00 54.54 H new ATOM 0 HG LEU A 64 -20.395 -23.154 -22.511 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -19.185 -24.901 -23.748 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -18.211 -24.225 -22.420 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -18.980 -25.820 -22.238 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -21.627 -25.029 -23.566 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -21.537 -25.935 -22.037 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -22.464 -24.418 -22.119 1.00 63.23 H new ATOM 1019 N ASN A 65 -16.960 -22.540 -20.507 1.00 64.21 N ATOM 1020 CA ASN A 65 -15.536 -22.832 -20.532 1.00 60.20 C ATOM 1021 C ASN A 65 -14.974 -22.733 -19.123 1.00 64.31 C ATOM 1022 O ASN A 65 -14.686 -21.640 -18.633 1.00 34.35 O ATOM 1023 CB ASN A 65 -14.795 -21.871 -21.465 1.00 11.43 C ATOM 1024 CG ASN A 65 -15.364 -21.866 -22.872 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -16.229 -21.054 -23.203 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -14.898 -22.783 -23.705 1.00 54.41 N ATOM 0 H ASN A 65 -17.205 -21.614 -20.858 1.00 64.21 H new ATOM 0 HA ASN A 65 -15.394 -23.844 -20.911 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -14.843 -20.863 -21.054 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -13.742 -22.149 -21.504 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -15.256 -22.834 -24.659 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -14.181 -23.438 -23.393 1.00 54.41 H new ATOM 1033 N ILE A 66 -14.818 -23.883 -18.481 1.00 12.30 N ATOM 1034 CA ILE A 66 -14.484 -23.943 -17.062 1.00 41.44 C ATOM 1035 C ILE A 66 -12.992 -23.763 -16.802 1.00 2.50 C ATOM 1036 O ILE A 66 -12.495 -24.125 -15.738 1.00 31.11 O ATOM 1037 CB ILE A 66 -14.955 -25.274 -16.437 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -14.397 -26.467 -17.223 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -16.478 -25.324 -16.392 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -14.776 -27.813 -16.640 1.00 65.41 C ATOM 0 H ILE A 66 -14.918 -24.796 -18.925 1.00 12.30 H new ATOM 0 HA ILE A 66 -15.009 -23.112 -16.592 1.00 41.44 H new ATOM 0 HB ILE A 66 -14.576 -25.333 -15.417 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -14.755 -26.413 -18.251 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -13.310 -26.390 -17.260 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -16.798 -26.267 -15.949 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -16.852 -24.495 -15.790 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -16.875 -25.245 -17.404 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -14.345 -28.608 -17.249 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -14.394 -27.889 -15.622 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -15.861 -27.912 -16.629 1.00 65.41 H new ATOM 1052 N HIS A 67 -12.279 -23.187 -17.762 1.00 15.31 N ATOM 1053 CA HIS A 67 -10.868 -22.875 -17.569 1.00 41.12 C ATOM 1054 C HIS A 67 -10.730 -21.761 -16.536 1.00 13.15 C ATOM 1055 O HIS A 67 -9.820 -21.769 -15.708 1.00 11.25 O ATOM 1056 CB HIS A 67 -10.214 -22.452 -18.895 1.00 61.24 C ATOM 1057 CG HIS A 67 -8.746 -22.131 -18.784 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -7.756 -22.943 -19.288 1.00 61.32 N ATOM 1059 CD2 HIS A 67 -8.108 -21.074 -18.226 1.00 73.33 C ATOM 1060 CE1 HIS A 67 -6.577 -22.401 -19.039 1.00 43.30 C ATOM 1061 NE2 HIS A 67 -6.761 -21.265 -18.393 1.00 5.34 N ATOM 0 H HIS A 67 -12.651 -22.928 -18.676 1.00 15.31 H new ATOM 0 HA HIS A 67 -10.357 -23.769 -17.210 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -10.346 -23.252 -19.624 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -10.737 -21.578 -19.283 1.00 61.24 H new ATOM 0 HD2 HIS A 67 -8.576 -20.232 -17.738 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -5.621 -22.819 -19.318 1.00 43.30 H new ATOM 0 HE2 HIS A 67 -6.025 -20.636 -18.072 1.00 5.34 H new ATOM 1070 N ALA A 68 -11.644 -20.808 -16.596 1.00 1.04 N ATOM 1071 CA ALA A 68 -11.627 -19.677 -15.687 1.00 21.21 C ATOM 1072 C ALA A 68 -12.999 -19.483 -15.058 1.00 64.03 C ATOM 1073 O ALA A 68 -13.957 -19.117 -15.739 1.00 11.40 O ATOM 1074 CB ALA A 68 -11.189 -18.417 -16.420 1.00 11.23 C ATOM 0 H ALA A 68 -12.411 -20.796 -17.269 1.00 1.04 H new ATOM 0 HA ALA A 68 -10.910 -19.879 -14.891 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -11.181 -17.577 -15.726 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -10.188 -18.562 -16.826 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -11.884 -18.209 -17.233 1.00 11.23 H new ATOM 1080 N ILE A 69 -13.096 -19.754 -13.767 1.00 52.42 N ATOM 1081 CA ILE A 69 -14.348 -19.584 -13.048 1.00 0.05 C ATOM 1082 C ILE A 69 -14.592 -18.108 -12.766 1.00 34.51 C ATOM 1083 O ILE A 69 -13.927 -17.508 -11.922 1.00 0.24 O ATOM 1084 CB ILE A 69 -14.354 -20.373 -11.719 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -14.098 -21.863 -11.974 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -15.672 -20.179 -10.980 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -15.121 -22.515 -12.881 1.00 43.35 C ATOM 0 H ILE A 69 -12.322 -20.093 -13.195 1.00 52.42 H new ATOM 0 HA ILE A 69 -15.146 -19.976 -13.678 1.00 0.05 H new ATOM 0 HB ILE A 69 -13.550 -19.986 -11.093 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -13.108 -21.981 -12.415 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -14.086 -22.388 -11.019 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -15.653 -20.744 -10.048 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -15.814 -19.121 -10.760 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -16.494 -20.534 -11.602 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -14.872 -23.568 -13.013 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -16.111 -22.430 -12.433 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -15.118 -22.017 -13.851 1.00 43.35 H new ATOM 1099 N GLN A 70 -15.530 -17.523 -13.496 1.00 62.22 N ATOM 1100 CA GLN A 70 -15.829 -16.105 -13.362 1.00 45.13 C ATOM 1101 C GLN A 70 -16.762 -15.844 -12.186 1.00 54.23 C ATOM 1102 O GLN A 70 -16.695 -14.790 -11.559 1.00 20.23 O ATOM 1103 CB GLN A 70 -16.444 -15.562 -14.653 1.00 3.32 C ATOM 1104 CG GLN A 70 -15.486 -15.584 -15.833 1.00 45.50 C ATOM 1105 CD GLN A 70 -16.094 -15.029 -17.108 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -15.393 -14.448 -17.934 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -17.395 -15.216 -17.288 1.00 43.43 N ATOM 0 H GLN A 70 -16.099 -18.010 -14.189 1.00 62.22 H new ATOM 0 HA GLN A 70 -14.890 -15.585 -13.171 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -17.328 -16.150 -14.901 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -16.779 -14.538 -14.485 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -14.596 -15.007 -15.581 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -15.161 -16.609 -16.010 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -17.943 -15.703 -16.579 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -17.847 -14.873 -18.135 1.00 43.43 H new ATOM 1116 N ILE A 71 -17.622 -16.804 -11.883 1.00 33.52 N ATOM 1117 CA ILE A 71 -18.579 -16.648 -10.796 1.00 32.34 C ATOM 1118 C ILE A 71 -18.676 -17.920 -9.961 1.00 21.45 C ATOM 1119 O ILE A 71 -18.782 -19.024 -10.494 1.00 21.34 O ATOM 1120 CB ILE A 71 -19.983 -16.254 -11.318 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -21.019 -16.292 -10.183 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -20.398 -17.158 -12.464 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -22.428 -15.936 -10.615 1.00 61.50 C ATOM 0 H ILE A 71 -17.678 -17.697 -12.372 1.00 33.52 H new ATOM 0 HA ILE A 71 -18.210 -15.839 -10.165 1.00 32.34 H new ATOM 0 HB ILE A 71 -19.935 -15.231 -11.692 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -21.026 -17.291 -9.746 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -20.707 -15.603 -9.398 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -21.387 -16.866 -12.818 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -19.679 -17.066 -13.278 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -20.426 -18.192 -12.120 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -23.096 -15.987 -9.755 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -22.439 -14.926 -11.024 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -22.763 -16.639 -11.377 1.00 61.50 H new ATOM 1135 N GLN A 72 -18.614 -17.749 -8.650 1.00 4.42 N ATOM 1136 CA GLN A 72 -18.777 -18.853 -7.719 1.00 11.31 C ATOM 1137 C GLN A 72 -19.870 -18.513 -6.717 1.00 41.51 C ATOM 1138 O GLN A 72 -19.812 -17.479 -6.060 1.00 30.42 O ATOM 1139 CB GLN A 72 -17.465 -19.144 -6.989 1.00 73.05 C ATOM 1140 CG GLN A 72 -17.550 -20.330 -6.043 1.00 75.12 C ATOM 1141 CD GLN A 72 -16.268 -20.556 -5.269 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -15.175 -20.254 -5.746 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -16.390 -21.094 -4.066 1.00 23.21 N ATOM 0 H GLN A 72 -18.450 -16.847 -8.204 1.00 4.42 H new ATOM 0 HA GLN A 72 -19.060 -19.746 -8.277 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -16.683 -19.331 -7.724 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -17.168 -18.260 -6.425 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -18.369 -20.172 -5.342 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -17.788 -21.228 -6.614 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -17.314 -21.331 -3.705 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -15.560 -21.272 -3.500 1.00 23.21 H new ATOM 1152 N THR A 73 -20.864 -19.372 -6.606 1.00 51.10 N ATOM 1153 CA THR A 73 -21.989 -19.113 -5.728 1.00 71.51 C ATOM 1154 C THR A 73 -21.729 -19.628 -4.316 1.00 31.34 C ATOM 1155 O THR A 73 -21.225 -20.739 -4.131 1.00 0.24 O ATOM 1156 CB THR A 73 -23.268 -19.756 -6.289 1.00 1.24 C ATOM 1157 OG1 THR A 73 -23.004 -21.115 -6.665 1.00 14.45 O ATOM 1158 CG2 THR A 73 -23.771 -18.984 -7.497 1.00 60.22 C ATOM 0 H THR A 73 -20.916 -20.256 -7.113 1.00 51.10 H new ATOM 0 HA THR A 73 -22.121 -18.032 -5.677 1.00 71.51 H new ATOM 0 HB THR A 73 -24.034 -19.733 -5.514 1.00 1.24 H new ATOM 0 HG1 THR A 73 -23.517 -21.719 -6.089 1.00 14.45 H new ATOM 0 HG21 THR A 73 -24.677 -19.455 -7.879 1.00 60.22 H new ATOM 0 HG22 THR A 73 -23.991 -17.957 -7.206 1.00 60.22 H new ATOM 0 HG23 THR A 73 -23.006 -18.985 -8.274 1.00 60.22 H new ATOM 1166 N GLY A 74 -22.052 -18.807 -3.323 1.00 12.20 N ATOM 1167 CA GLY A 74 -21.919 -19.226 -1.941 1.00 10.41 C ATOM 1168 C GLY A 74 -23.023 -20.182 -1.539 1.00 15.25 C ATOM 1169 O GLY A 74 -24.069 -19.761 -1.040 1.00 44.31 O ATOM 0 H GLY A 74 -22.404 -17.858 -3.451 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -20.951 -19.706 -1.797 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -21.940 -18.351 -1.291 1.00 10.41 H new ATOM 1173 N CYS A 75 -22.783 -21.464 -1.753 1.00 41.31 N ATOM 1174 CA CYS A 75 -23.780 -22.493 -1.499 1.00 31.41 C ATOM 1175 C CYS A 75 -23.842 -22.858 -0.023 1.00 22.14 C ATOM 1176 O CYS A 75 -22.811 -23.041 0.626 1.00 42.21 O ATOM 1177 CB CYS A 75 -23.456 -23.746 -2.317 1.00 54.21 C ATOM 1178 SG CYS A 75 -24.527 -25.159 -1.965 1.00 1.04 S ATOM 0 H CYS A 75 -21.895 -21.821 -2.106 1.00 41.31 H new ATOM 0 HA CYS A 75 -24.751 -22.095 -1.795 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -23.530 -23.503 -3.377 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -22.422 -24.032 -2.127 1.00 54.21 H new ATOM 0 HG CYS A 75 -24.742 -25.232 -0.685 1.00 1.04 H new ATOM 1184 N LYS A 76 -25.054 -22.950 0.501 1.00 72.44 N ATOM 1185 CA LYS A 76 -25.265 -23.441 1.854 1.00 24.13 C ATOM 1186 C LYS A 76 -26.053 -24.740 1.792 1.00 65.44 C ATOM 1187 O LYS A 76 -27.260 -24.722 2.099 1.00 51.21 O ATOM 1188 CB LYS A 76 -26.006 -22.413 2.728 1.00 54.32 C ATOM 1189 CG LYS A 76 -25.182 -21.191 3.115 1.00 62.33 C ATOM 1190 CD LYS A 76 -24.963 -20.252 1.939 1.00 31.01 C ATOM 1191 CE LYS A 76 -24.118 -19.046 2.320 1.00 51.33 C ATOM 1192 NZ LYS A 76 -22.789 -19.445 2.855 1.00 72.41 N ATOM 1193 OXT LYS A 76 -25.467 -25.767 1.384 1.00 0.00 O ATOM 0 H LYS A 76 -25.909 -22.690 0.009 1.00 72.44 H new ATOM 0 HA LYS A 76 -24.292 -23.613 2.313 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -26.897 -22.079 2.196 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -26.345 -22.908 3.638 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -25.687 -20.654 3.918 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -24.217 -21.514 3.505 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -24.476 -20.794 1.129 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -25.928 -19.913 1.561 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -23.981 -18.409 1.446 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -24.647 -18.454 3.067 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -22.162 -18.616 2.880 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -22.901 -19.823 3.817 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -22.373 -20.176 2.243 1.00 72.41 H new TER 1207 LYS A 76