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 65 ASN : amide:sc= -0.0404 K(o=-1,f=-4.8!) USER MOD Set 1.2: A 70 GLN : amide:sc= -0.966 K(o=-1,f=-6.8!) USER MOD Set 2.1: A 3 SER OG : rot -103:sc= 0.0482 USER MOD Set 2.2: A 5 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 4 MET CE :methyl 145:sc= -0.281 (180deg=-1.04) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 8 GLN : amide:sc= 0.259 X(o=0.26,f=-0.0058) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00153 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 1.17 K(o=1.2,f=-0.062) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -60:sc= 0.152 USER MOD Single : A 33 ASN : amide:sc= -0.281 K(o=-0.28,f=-2.9!) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -62:sc= 0.382 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 49:sc= 0.0589 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.34) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 48 LYS NZ :NH3+ 138:sc= 1.15 (180deg=0.311) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.77 K(o=0.77,f=-0.53) USER MOD Single : A 54 HIS : no HD1:sc= -0.574 X(o=-0.57,f=-0.25) USER MOD Single : A 56 MET CE :methyl 179:sc= -2.61 (180deg=-2.77) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0589 (180deg=-0.347) USER MOD Single : A 67 HIS : no HD1:sc= -0.0818 X(o=-0.082,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.71) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 5.717 -1.837 -2.972 1.00 72.44 N ATOM 2 CA PRO A 1 5.473 -2.269 -4.362 1.00 63.23 C ATOM 3 C PRO A 1 4.060 -1.900 -4.788 1.00 50.34 C ATOM 4 O PRO A 1 3.233 -1.529 -3.957 1.00 54.34 O ATOM 5 CB PRO A 1 5.681 -3.772 -4.449 1.00 35.02 C ATOM 6 CG PRO A 1 6.024 -4.170 -3.053 1.00 24.21 C ATOM 7 CD PRO A 1 6.502 -2.917 -2.354 1.00 63.42 C ATOM 0 H2 PRO A 1 4.839 -1.691 -2.474 1.00 72.44 H new ATOM 0 H3 PRO A 1 6.225 -0.953 -2.946 1.00 72.44 H new ATOM 0 HA PRO A 1 6.169 -1.765 -5.033 1.00 63.23 H new ATOM 0 HB2 PRO A 1 4.782 -4.280 -4.799 1.00 35.02 H new ATOM 0 HB3 PRO A 1 6.482 -4.025 -5.144 1.00 35.02 H new ATOM 0 HG2 PRO A 1 5.156 -4.590 -2.545 1.00 24.21 H new ATOM 0 HG3 PRO A 1 6.799 -4.937 -3.048 1.00 24.21 H new ATOM 0 HD2 PRO A 1 6.329 -2.970 -1.279 1.00 63.42 H new ATOM 0 HD3 PRO A 1 7.572 -2.764 -2.498 1.00 63.42 H new ATOM 17 N GLY A 2 3.785 -2.002 -6.079 1.00 35.53 N ATOM 18 CA GLY A 2 2.482 -1.631 -6.587 1.00 24.52 C ATOM 19 C GLY A 2 1.731 -2.806 -7.172 1.00 1.40 C ATOM 20 O GLY A 2 2.337 -3.771 -7.648 1.00 22.44 O ATOM 0 H GLY A 2 4.442 -2.335 -6.785 1.00 35.53 H new ATOM 0 HA2 GLY A 2 1.893 -1.193 -5.781 1.00 24.52 H new ATOM 0 HA3 GLY A 2 2.599 -0.862 -7.351 1.00 24.52 H new ATOM 24 N SER A 3 0.409 -2.732 -7.129 1.00 10.13 N ATOM 25 CA SER A 3 -0.437 -3.762 -7.698 1.00 12.40 C ATOM 26 C SER A 3 -1.590 -3.116 -8.449 1.00 50.22 C ATOM 27 O SER A 3 -2.218 -2.182 -7.947 1.00 24.11 O ATOM 28 CB SER A 3 -0.972 -4.685 -6.595 1.00 44.31 C ATOM 29 OG SER A 3 -1.725 -5.759 -7.138 1.00 54.01 O ATOM 0 H SER A 3 -0.102 -1.960 -6.701 1.00 10.13 H new ATOM 0 HA SER A 3 0.151 -4.362 -8.392 1.00 12.40 H new ATOM 0 HB2 SER A 3 -0.139 -5.080 -6.013 1.00 44.31 H new ATOM 0 HB3 SER A 3 -1.596 -4.111 -5.909 1.00 44.31 H new ATOM 0 HG SER A 3 -2.681 -5.579 -7.023 1.00 54.01 H new ATOM 35 N MET A 4 -1.851 -3.589 -9.659 1.00 64.30 N ATOM 36 CA MET A 4 -2.971 -3.087 -10.442 1.00 73.21 C ATOM 37 C MET A 4 -4.119 -4.082 -10.425 1.00 42.35 C ATOM 38 O MET A 4 -4.390 -4.750 -11.423 1.00 54.24 O ATOM 39 CB MET A 4 -2.561 -2.800 -11.887 1.00 72.52 C ATOM 40 CG MET A 4 -1.631 -1.611 -12.039 1.00 21.33 C ATOM 41 SD MET A 4 -1.247 -1.257 -13.764 1.00 14.12 S ATOM 42 CE MET A 4 -2.889 -0.943 -14.415 1.00 12.30 C ATOM 0 H MET A 4 -1.305 -4.317 -10.119 1.00 64.30 H new ATOM 0 HA MET A 4 -3.296 -2.152 -9.986 1.00 73.21 H new ATOM 0 HB2 MET A 4 -2.074 -3.684 -12.298 1.00 72.52 H new ATOM 0 HB3 MET A 4 -3.458 -2.625 -12.481 1.00 72.52 H new ATOM 0 HG2 MET A 4 -2.090 -0.733 -11.584 1.00 21.33 H new ATOM 0 HG3 MET A 4 -0.706 -1.805 -11.496 1.00 21.33 H new ATOM 0 HE1 MET A 4 -2.835 -0.167 -15.179 1.00 12.30 H new ATOM 0 HE2 MET A 4 -3.287 -1.858 -14.854 1.00 12.30 H new ATOM 0 HE3 MET A 4 -3.543 -0.613 -13.608 1.00 12.30 H new ATOM 52 N THR A 5 -4.769 -4.200 -9.283 1.00 5.32 N ATOM 53 CA THR A 5 -5.904 -5.088 -9.151 1.00 22.53 C ATOM 54 C THR A 5 -7.133 -4.453 -9.794 1.00 65.22 C ATOM 55 O THR A 5 -7.647 -3.440 -9.312 1.00 62.04 O ATOM 56 CB THR A 5 -6.186 -5.392 -7.670 1.00 42.10 C ATOM 57 OG1 THR A 5 -4.960 -5.742 -7.006 1.00 71.41 O ATOM 58 CG2 THR A 5 -7.186 -6.531 -7.531 1.00 53.01 C ATOM 0 H THR A 5 -4.529 -3.690 -8.433 1.00 5.32 H new ATOM 0 HA THR A 5 -5.674 -6.025 -9.658 1.00 22.53 H new ATOM 0 HB THR A 5 -6.612 -4.500 -7.210 1.00 42.10 H new ATOM 0 HG1 THR A 5 -5.142 -5.933 -6.062 1.00 71.41 H new ATOM 0 HG21 THR A 5 -7.369 -6.727 -6.475 1.00 53.01 H new ATOM 0 HG22 THR A 5 -8.122 -6.255 -8.016 1.00 53.01 H new ATOM 0 HG23 THR A 5 -6.784 -7.428 -8.002 1.00 53.01 H new ATOM 66 N VAL A 6 -7.579 -5.025 -10.900 1.00 4.20 N ATOM 67 CA VAL A 6 -8.720 -4.484 -11.617 1.00 13.52 C ATOM 68 C VAL A 6 -10.007 -5.190 -11.196 1.00 40.55 C ATOM 69 O VAL A 6 -10.054 -6.416 -11.091 1.00 4.41 O ATOM 70 CB VAL A 6 -8.523 -4.579 -13.154 1.00 75.41 C ATOM 71 CG1 VAL A 6 -8.333 -6.020 -13.612 1.00 44.14 C ATOM 72 CG2 VAL A 6 -9.685 -3.932 -13.893 1.00 12.15 C ATOM 0 H VAL A 6 -7.170 -5.860 -11.319 1.00 4.20 H new ATOM 0 HA VAL A 6 -8.802 -3.429 -11.357 1.00 13.52 H new ATOM 0 HB VAL A 6 -7.612 -4.033 -13.397 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -8.198 -6.043 -14.693 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -7.453 -6.443 -13.128 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -9.212 -6.606 -13.343 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -9.522 -4.012 -14.968 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -10.613 -4.439 -13.628 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -9.754 -2.881 -13.614 1.00 12.15 H new ATOM 82 N THR A 7 -11.035 -4.405 -10.921 1.00 31.41 N ATOM 83 CA THR A 7 -12.326 -4.945 -10.540 1.00 35.31 C ATOM 84 C THR A 7 -13.223 -5.051 -11.771 1.00 31.42 C ATOM 85 O THR A 7 -12.822 -4.652 -12.867 1.00 72.04 O ATOM 86 CB THR A 7 -12.988 -4.059 -9.470 1.00 54.51 C ATOM 87 OG1 THR A 7 -12.021 -3.139 -8.942 1.00 5.41 O ATOM 88 CG2 THR A 7 -13.536 -4.907 -8.334 1.00 10.33 C ATOM 0 H THR A 7 -10.998 -3.386 -10.955 1.00 31.41 H new ATOM 0 HA THR A 7 -12.182 -5.939 -10.117 1.00 35.31 H new ATOM 0 HB THR A 7 -13.810 -3.514 -9.934 1.00 54.51 H new ATOM 0 HG1 THR A 7 -12.444 -2.574 -8.262 1.00 5.41 H new ATOM 0 HG21 THR A 7 -14.000 -4.261 -7.589 1.00 10.33 H new ATOM 0 HG22 THR A 7 -14.279 -5.602 -8.725 1.00 10.33 H new ATOM 0 HG23 THR A 7 -12.723 -5.467 -7.873 1.00 10.33 H new ATOM 96 N GLN A 8 -14.423 -5.589 -11.610 1.00 3.23 N ATOM 97 CA GLN A 8 -15.315 -5.801 -12.739 1.00 50.02 C ATOM 98 C GLN A 8 -16.608 -5.011 -12.551 1.00 1.14 C ATOM 99 O GLN A 8 -17.625 -5.558 -12.137 1.00 72.35 O ATOM 100 CB GLN A 8 -15.618 -7.292 -12.902 1.00 43.14 C ATOM 101 CG GLN A 8 -14.385 -8.155 -13.142 1.00 33.25 C ATOM 102 CD GLN A 8 -13.760 -7.926 -14.507 1.00 53.30 C ATOM 103 OE1 GLN A 8 -14.107 -8.595 -15.476 1.00 54.41 O ATOM 104 NE2 GLN A 8 -12.834 -6.984 -14.593 1.00 54.35 N ATOM 0 H GLN A 8 -14.800 -5.886 -10.710 1.00 3.23 H new ATOM 0 HA GLN A 8 -14.822 -5.446 -13.644 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -16.129 -7.648 -12.007 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -16.308 -7.423 -13.736 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -13.645 -7.946 -12.369 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -14.659 -9.206 -13.045 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -12.572 -6.449 -13.765 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -12.382 -6.793 -15.487 1.00 54.35 H new ATOM 113 N SER A 9 -16.558 -3.725 -12.878 1.00 52.14 N ATOM 114 CA SER A 9 -17.652 -2.796 -12.599 1.00 2.52 C ATOM 115 C SER A 9 -19.003 -3.300 -13.116 1.00 0.31 C ATOM 116 O SER A 9 -19.974 -3.376 -12.363 1.00 54.11 O ATOM 117 CB SER A 9 -17.322 -1.433 -13.210 1.00 33.54 C ATOM 118 OG SER A 9 -16.858 -1.576 -14.546 1.00 75.12 O ATOM 0 H SER A 9 -15.759 -3.295 -13.344 1.00 52.14 H new ATOM 0 HA SER A 9 -17.748 -2.710 -11.517 1.00 2.52 H new ATOM 0 HB2 SER A 9 -18.208 -0.799 -13.194 1.00 33.54 H new ATOM 0 HB3 SER A 9 -16.562 -0.934 -12.608 1.00 33.54 H new ATOM 0 HG SER A 9 -16.655 -0.692 -14.918 1.00 75.12 H new ATOM 124 N GLN A 10 -19.063 -3.658 -14.393 1.00 65.43 N ATOM 125 CA GLN A 10 -20.318 -4.101 -14.987 1.00 50.30 C ATOM 126 C GLN A 10 -20.720 -5.476 -14.459 1.00 24.22 C ATOM 127 O GLN A 10 -21.901 -5.821 -14.448 1.00 13.03 O ATOM 128 CB GLN A 10 -20.230 -4.111 -16.515 1.00 3.51 C ATOM 129 CG GLN A 10 -19.167 -5.037 -17.080 1.00 31.21 C ATOM 130 CD GLN A 10 -19.184 -5.067 -18.595 1.00 30.13 C ATOM 131 OE1 GLN A 10 -18.504 -4.279 -19.251 1.00 43.14 O ATOM 132 NE2 GLN A 10 -19.970 -5.968 -19.162 1.00 21.05 N ATOM 0 H GLN A 10 -18.267 -3.651 -15.031 1.00 65.43 H new ATOM 0 HA GLN A 10 -21.091 -3.389 -14.698 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -21.199 -4.402 -16.920 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -20.031 -3.097 -16.861 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -18.185 -4.714 -16.735 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -19.324 -6.045 -16.696 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -20.518 -6.604 -18.582 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -20.028 -6.027 -20.179 1.00 21.05 H new ATOM 141 N LEU A 11 -19.738 -6.254 -14.019 1.00 1.21 N ATOM 142 CA LEU A 11 -20.006 -7.566 -13.448 1.00 12.41 C ATOM 143 C LEU A 11 -20.644 -7.392 -12.072 1.00 54.11 C ATOM 144 O LEU A 11 -21.692 -7.974 -11.789 1.00 71.13 O ATOM 145 CB LEU A 11 -18.709 -8.388 -13.371 1.00 53.43 C ATOM 146 CG LEU A 11 -18.862 -9.901 -13.134 1.00 4.24 C ATOM 147 CD1 LEU A 11 -19.239 -10.198 -11.690 1.00 55.21 C ATOM 148 CD2 LEU A 11 -19.896 -10.486 -14.085 1.00 61.15 C ATOM 0 H LEU A 11 -18.751 -5.999 -14.047 1.00 1.21 H new ATOM 0 HA LEU A 11 -20.701 -8.113 -14.085 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -18.159 -8.243 -14.301 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -18.094 -7.979 -12.570 1.00 53.43 H new ATOM 0 HG LEU A 11 -17.898 -10.371 -13.332 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -19.340 -11.275 -11.554 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -18.462 -9.820 -11.026 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -20.186 -9.712 -11.454 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -19.992 -11.557 -13.904 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -20.858 -10.002 -13.918 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -19.579 -10.319 -15.114 1.00 61.15 H new ATOM 160 N GLU A 12 -20.007 -6.577 -11.230 1.00 14.13 N ATOM 161 CA GLU A 12 -20.571 -6.207 -9.935 1.00 13.33 C ATOM 162 C GLU A 12 -21.996 -5.698 -10.102 1.00 23.45 C ATOM 163 O GLU A 12 -22.906 -6.110 -9.380 1.00 35.24 O ATOM 164 CB GLU A 12 -19.720 -5.130 -9.252 1.00 72.23 C ATOM 165 CG GLU A 12 -18.592 -5.678 -8.389 1.00 2.41 C ATOM 166 CD GLU A 12 -17.391 -6.140 -9.189 1.00 74.31 C ATOM 167 OE1 GLU A 12 -17.387 -7.295 -9.648 1.00 33.12 O ATOM 168 OE2 GLU A 12 -16.440 -5.340 -9.345 1.00 23.41 O ATOM 0 H GLU A 12 -19.097 -6.160 -11.425 1.00 14.13 H new ATOM 0 HA GLU A 12 -20.577 -7.098 -9.308 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -19.294 -4.481 -10.017 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -20.368 -4.510 -8.632 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -18.276 -4.908 -7.686 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -18.969 -6.513 -7.799 1.00 2.41 H new ATOM 175 N LEU A 13 -22.179 -4.806 -11.070 1.00 24.43 N ATOM 176 CA LEU A 13 -23.492 -4.264 -11.391 1.00 1.43 C ATOM 177 C LEU A 13 -24.462 -5.386 -11.769 1.00 31.21 C ATOM 178 O LEU A 13 -25.587 -5.441 -11.265 1.00 4.34 O ATOM 179 CB LEU A 13 -23.361 -3.241 -12.531 1.00 73.45 C ATOM 180 CG LEU A 13 -24.660 -2.565 -12.989 1.00 63.21 C ATOM 181 CD1 LEU A 13 -24.367 -1.160 -13.486 1.00 44.11 C ATOM 182 CD2 LEU A 13 -25.332 -3.368 -14.095 1.00 50.21 C ATOM 0 H LEU A 13 -21.424 -4.441 -11.651 1.00 24.43 H new ATOM 0 HA LEU A 13 -23.896 -3.761 -10.512 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -22.664 -2.465 -12.216 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -22.914 -3.741 -13.390 1.00 73.45 H new ATOM 0 HG LEU A 13 -25.336 -2.517 -12.136 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -25.295 -0.688 -13.809 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -23.923 -0.575 -12.681 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -23.673 -1.208 -14.325 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -26.250 -2.867 -14.402 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -24.659 -3.446 -14.949 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -25.569 -4.367 -13.727 1.00 50.21 H new ATOM 194 N LEU A 14 -24.012 -6.281 -12.641 1.00 72.01 N ATOM 195 CA LEU A 14 -24.836 -7.393 -13.102 1.00 3.52 C ATOM 196 C LEU A 14 -25.286 -8.258 -11.929 1.00 71.02 C ATOM 197 O LEU A 14 -26.469 -8.569 -11.796 1.00 70.32 O ATOM 198 CB LEU A 14 -24.062 -8.240 -14.115 1.00 33.20 C ATOM 199 CG LEU A 14 -24.848 -9.404 -14.724 1.00 40.12 C ATOM 200 CD1 LEU A 14 -26.035 -8.891 -15.525 1.00 54.01 C ATOM 201 CD2 LEU A 14 -23.940 -10.257 -15.596 1.00 11.21 C ATOM 0 H LEU A 14 -23.076 -6.258 -13.045 1.00 72.01 H new ATOM 0 HA LEU A 14 -25.723 -6.983 -13.586 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -23.720 -7.591 -14.922 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -23.172 -8.638 -13.628 1.00 33.20 H new ATOM 0 HG LEU A 14 -25.229 -10.024 -13.913 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -26.580 -9.735 -15.949 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -26.697 -8.323 -14.871 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -25.680 -8.247 -16.330 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -24.513 -11.080 -16.022 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -23.530 -9.646 -16.400 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -23.125 -10.656 -14.992 1.00 11.21 H new ATOM 213 N ILE A 15 -24.342 -8.624 -11.070 1.00 13.25 N ATOM 214 CA ILE A 15 -24.643 -9.460 -9.913 1.00 24.23 C ATOM 215 C ILE A 15 -25.581 -8.737 -8.950 1.00 61.32 C ATOM 216 O ILE A 15 -26.517 -9.331 -8.425 1.00 75.31 O ATOM 217 CB ILE A 15 -23.359 -9.881 -9.161 1.00 33.14 C ATOM 218 CG1 ILE A 15 -22.423 -10.655 -10.098 1.00 70.34 C ATOM 219 CG2 ILE A 15 -23.706 -10.719 -7.936 1.00 52.02 C ATOM 220 CD1 ILE A 15 -23.035 -11.915 -10.678 1.00 63.52 C ATOM 0 H ILE A 15 -23.361 -8.355 -11.152 1.00 13.25 H new ATOM 0 HA ILE A 15 -25.133 -10.358 -10.289 1.00 24.23 H new ATOM 0 HB ILE A 15 -22.844 -8.982 -8.824 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -22.121 -10.000 -10.916 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -21.518 -10.921 -9.552 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -22.790 -11.006 -7.420 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.335 -10.136 -7.263 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -24.242 -11.615 -8.248 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -22.311 -12.405 -11.329 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -23.311 -12.591 -9.869 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -23.924 -11.656 -11.254 1.00 63.52 H new ATOM 232 N ARG A 16 -25.338 -7.448 -8.744 1.00 32.24 N ATOM 233 CA ARG A 16 -26.165 -6.647 -7.846 1.00 15.30 C ATOM 234 C ARG A 16 -27.588 -6.504 -8.390 1.00 74.23 C ATOM 235 O ARG A 16 -28.549 -6.381 -7.626 1.00 15.23 O ATOM 236 CB ARG A 16 -25.544 -5.262 -7.633 1.00 23.14 C ATOM 237 CG ARG A 16 -26.373 -4.353 -6.736 1.00 71.35 C ATOM 238 CD ARG A 16 -26.457 -4.882 -5.313 1.00 63.11 C ATOM 239 NE ARG A 16 -25.214 -4.676 -4.573 1.00 73.55 N ATOM 240 CZ ARG A 16 -25.133 -4.654 -3.243 1.00 72.42 C ATOM 241 NH1 ARG A 16 -26.213 -4.878 -2.498 1.00 4.32 N ATOM 242 NH2 ARG A 16 -23.969 -4.408 -2.662 1.00 75.13 N ATOM 0 H ARG A 16 -24.576 -6.934 -9.186 1.00 32.24 H new ATOM 0 HA ARG A 16 -26.213 -7.164 -6.888 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -24.552 -5.381 -7.198 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -25.411 -4.780 -8.601 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -25.935 -3.355 -6.727 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -27.378 -4.256 -7.147 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -27.275 -4.386 -4.791 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -26.692 -5.946 -5.336 1.00 63.11 H new ATOM 0 HE ARG A 16 -24.356 -4.541 -5.107 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -27.110 -5.068 -2.945 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -26.143 -4.860 -1.481 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -23.141 -4.237 -3.232 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -23.901 -4.390 -1.644 1.00 75.13 H new ATOM 256 N ASN A 17 -27.720 -6.504 -9.709 1.00 21.01 N ATOM 257 CA ASN A 17 -29.034 -6.410 -10.340 1.00 71.44 C ATOM 258 C ASN A 17 -29.731 -7.761 -10.352 1.00 24.13 C ATOM 259 O ASN A 17 -30.956 -7.837 -10.257 1.00 64.41 O ATOM 260 CB ASN A 17 -28.923 -5.861 -11.762 1.00 22.11 C ATOM 261 CG ASN A 17 -28.892 -4.347 -11.791 1.00 54.33 C ATOM 262 OD1 ASN A 17 -29.927 -3.696 -11.927 1.00 70.12 O ATOM 263 ND2 ASN A 17 -27.710 -3.777 -11.657 1.00 64.22 N ATOM 0 H ASN A 17 -26.939 -6.568 -10.362 1.00 21.01 H new ATOM 0 HA ASN A 17 -29.633 -5.717 -9.749 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -28.019 -6.250 -12.230 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -29.767 -6.217 -12.354 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -27.630 -2.760 -11.664 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -26.876 -4.353 -11.546 1.00 64.22 H new ATOM 270 N ALA A 18 -28.950 -8.826 -10.473 1.00 24.13 N ATOM 271 CA ALA A 18 -29.490 -10.179 -10.435 1.00 52.44 C ATOM 272 C ALA A 18 -29.896 -10.550 -9.014 1.00 63.32 C ATOM 273 O ALA A 18 -30.994 -11.063 -8.777 1.00 53.11 O ATOM 274 CB ALA A 18 -28.475 -11.177 -10.975 1.00 44.34 C ATOM 0 H ALA A 18 -27.939 -8.779 -10.599 1.00 24.13 H new ATOM 0 HA ALA A 18 -30.376 -10.213 -11.069 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -28.897 -12.181 -10.938 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -28.229 -10.924 -12.006 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -27.571 -11.141 -10.367 1.00 44.34 H new ATOM 280 N PHE A 19 -29.002 -10.280 -8.074 1.00 32.44 N ATOM 281 CA PHE A 19 -29.253 -10.539 -6.665 1.00 64.45 C ATOM 282 C PHE A 19 -28.889 -9.308 -5.840 1.00 11.13 C ATOM 283 O PHE A 19 -27.718 -9.065 -5.555 1.00 74.13 O ATOM 284 CB PHE A 19 -28.441 -11.746 -6.180 1.00 5.30 C ATOM 285 CG PHE A 19 -28.661 -12.991 -6.988 1.00 32.32 C ATOM 286 CD1 PHE A 19 -29.791 -13.767 -6.798 1.00 44.11 C ATOM 287 CD2 PHE A 19 -27.734 -13.384 -7.942 1.00 21.44 C ATOM 288 CE1 PHE A 19 -29.995 -14.912 -7.543 1.00 53.12 C ATOM 289 CE2 PHE A 19 -27.934 -14.528 -8.691 1.00 21.41 C ATOM 290 CZ PHE A 19 -29.066 -15.293 -8.491 1.00 4.25 C ATOM 0 H PHE A 19 -28.085 -9.876 -8.266 1.00 32.44 H new ATOM 0 HA PHE A 19 -30.313 -10.762 -6.539 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -27.381 -11.492 -6.204 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -28.697 -11.950 -5.140 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -30.522 -13.474 -6.059 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -26.846 -12.790 -8.101 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -30.881 -15.509 -7.384 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -27.206 -14.823 -9.432 1.00 21.41 H new ATOM 0 HZ PHE A 19 -29.225 -16.188 -9.075 1.00 4.25 H new ATOM 300 N PRO A 20 -29.889 -8.500 -5.464 1.00 74.32 N ATOM 301 CA PRO A 20 -29.667 -7.275 -4.687 1.00 62.04 C ATOM 302 C PRO A 20 -29.162 -7.572 -3.280 1.00 53.13 C ATOM 303 O PRO A 20 -28.457 -6.763 -2.675 1.00 3.14 O ATOM 304 CB PRO A 20 -31.051 -6.617 -4.632 1.00 73.25 C ATOM 305 CG PRO A 20 -31.867 -7.310 -5.672 1.00 43.34 C ATOM 306 CD PRO A 20 -31.311 -8.698 -5.779 1.00 54.10 C ATOM 0 HA PRO A 20 -28.905 -6.641 -5.140 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -31.499 -6.728 -3.644 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -30.985 -5.548 -4.834 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -32.920 -7.332 -5.390 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -31.804 -6.790 -6.628 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -31.790 -9.381 -5.078 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -31.451 -9.115 -6.776 1.00 54.10 H new ATOM 314 N GLU A 21 -29.510 -8.750 -2.783 1.00 43.25 N ATOM 315 CA GLU A 21 -29.130 -9.177 -1.443 1.00 14.45 C ATOM 316 C GLU A 21 -27.875 -10.047 -1.498 1.00 61.52 C ATOM 317 O GLU A 21 -27.734 -11.006 -0.733 1.00 44.12 O ATOM 318 CB GLU A 21 -30.277 -9.967 -0.805 1.00 73.54 C ATOM 319 CG GLU A 21 -31.617 -9.247 -0.847 1.00 25.00 C ATOM 320 CD GLU A 21 -31.611 -7.949 -0.062 1.00 21.25 C ATOM 321 OE1 GLU A 21 -31.180 -6.916 -0.616 1.00 2.14 O ATOM 322 OE2 GLU A 21 -32.046 -7.954 1.107 1.00 31.02 O ATOM 0 H GLU A 21 -30.063 -9.436 -3.296 1.00 43.25 H new ATOM 0 HA GLU A 21 -28.920 -8.293 -0.841 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -30.374 -10.925 -1.316 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -30.024 -10.183 0.233 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -31.880 -9.038 -1.884 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -32.390 -9.904 -0.448 1.00 25.00 H new ATOM 329 N ALA A 22 -26.974 -9.723 -2.416 1.00 13.31 N ATOM 330 CA ALA A 22 -25.763 -10.506 -2.608 1.00 45.34 C ATOM 331 C ALA A 22 -24.512 -9.717 -2.252 1.00 74.40 C ATOM 332 O ALA A 22 -24.411 -8.523 -2.541 1.00 53.45 O ATOM 333 CB ALA A 22 -25.667 -10.983 -4.047 1.00 43.43 C ATOM 0 H ALA A 22 -27.060 -8.921 -3.040 1.00 13.31 H new ATOM 0 HA ALA A 22 -25.824 -11.363 -1.937 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -24.756 -11.568 -4.177 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -26.532 -11.602 -4.284 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -25.644 -10.122 -4.715 1.00 43.43 H new ATOM 339 N GLU A 23 -23.574 -10.393 -1.609 1.00 31.23 N ATOM 340 CA GLU A 23 -22.249 -9.848 -1.356 1.00 5.24 C ATOM 341 C GLU A 23 -21.314 -10.233 -2.496 1.00 11.04 C ATOM 342 O GLU A 23 -21.109 -11.421 -2.758 1.00 5.32 O ATOM 343 CB GLU A 23 -21.700 -10.390 -0.034 1.00 2.23 C ATOM 344 CG GLU A 23 -22.406 -9.851 1.198 1.00 32.11 C ATOM 345 CD GLU A 23 -21.982 -8.438 1.539 1.00 53.32 C ATOM 346 OE1 GLU A 23 -20.964 -8.277 2.244 1.00 74.04 O ATOM 347 OE2 GLU A 23 -22.658 -7.483 1.108 1.00 2.10 O ATOM 0 H GLU A 23 -23.710 -11.337 -1.247 1.00 31.23 H new ATOM 0 HA GLU A 23 -22.317 -8.762 -1.291 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -21.779 -11.477 -0.039 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -20.639 -10.148 0.033 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -23.483 -9.874 1.034 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -22.199 -10.504 2.046 1.00 32.11 H new ATOM 354 N ILE A 24 -20.763 -9.245 -3.184 1.00 13.41 N ATOM 355 CA ILE A 24 -19.854 -9.511 -4.289 1.00 74.24 C ATOM 356 C ILE A 24 -18.407 -9.350 -3.829 1.00 61.32 C ATOM 357 O ILE A 24 -17.959 -8.241 -3.530 1.00 75.31 O ATOM 358 CB ILE A 24 -20.103 -8.577 -5.501 1.00 14.12 C ATOM 359 CG1 ILE A 24 -21.558 -8.642 -5.985 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.165 -8.936 -6.645 1.00 42.15 C ATOM 361 CD1 ILE A 24 -22.512 -7.752 -5.212 1.00 33.11 C ATOM 0 H ILE A 24 -20.928 -8.256 -2.998 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.041 -10.536 -4.610 1.00 74.24 H new ATOM 0 HB ILE A 24 -19.905 -7.557 -5.171 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -21.591 -8.363 -7.038 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -21.906 -9.673 -5.917 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -19.351 -8.272 -7.490 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.132 -8.825 -6.317 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -19.340 -9.968 -6.949 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.518 -7.858 -5.618 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -22.512 -8.044 -4.162 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -22.193 -6.714 -5.300 1.00 33.11 H new ATOM 373 N THR A 25 -17.683 -10.454 -3.759 1.00 14.02 N ATOM 374 CA THR A 25 -16.296 -10.420 -3.335 1.00 54.43 C ATOM 375 C THR A 25 -15.364 -10.847 -4.470 1.00 60.33 C ATOM 376 O THR A 25 -15.317 -12.019 -4.847 1.00 24.53 O ATOM 377 CB THR A 25 -16.071 -11.331 -2.111 1.00 3.22 C ATOM 378 OG1 THR A 25 -17.045 -11.040 -1.097 1.00 13.51 O ATOM 379 CG2 THR A 25 -14.671 -11.141 -1.544 1.00 30.53 C ATOM 0 H THR A 25 -18.033 -11.384 -3.990 1.00 14.02 H new ATOM 0 HA THR A 25 -16.065 -9.391 -3.058 1.00 54.43 H new ATOM 0 HB THR A 25 -16.179 -12.367 -2.433 1.00 3.22 H new ATOM 0 HG1 THR A 25 -16.897 -11.624 -0.324 1.00 13.51 H new ATOM 0 HG21 THR A 25 -14.536 -11.794 -0.682 1.00 30.53 H new ATOM 0 HG22 THR A 25 -13.933 -11.390 -2.306 1.00 30.53 H new ATOM 0 HG23 THR A 25 -14.540 -10.103 -1.237 1.00 30.53 H new ATOM 387 N VAL A 26 -14.647 -9.881 -5.023 1.00 74.44 N ATOM 388 CA VAL A 26 -13.660 -10.155 -6.057 1.00 13.43 C ATOM 389 C VAL A 26 -12.342 -10.567 -5.411 1.00 70.34 C ATOM 390 O VAL A 26 -11.648 -9.739 -4.818 1.00 52.34 O ATOM 391 CB VAL A 26 -13.422 -8.921 -6.950 1.00 24.42 C ATOM 392 CG1 VAL A 26 -12.478 -9.252 -8.095 1.00 41.35 C ATOM 393 CG2 VAL A 26 -14.742 -8.379 -7.480 1.00 35.24 C ATOM 0 H VAL A 26 -14.731 -8.896 -4.772 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.043 -10.963 -6.681 1.00 13.43 H new ATOM 0 HB VAL A 26 -12.954 -8.148 -6.340 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -12.327 -8.365 -8.710 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -11.520 -9.583 -7.693 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -12.909 -10.046 -8.704 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -14.552 -7.508 -8.108 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -15.241 -9.149 -8.068 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -15.379 -8.091 -6.644 1.00 35.24 H new ATOM 403 N THR A 27 -12.008 -11.841 -5.512 1.00 53.51 N ATOM 404 CA THR A 27 -10.830 -12.363 -4.840 1.00 3.34 C ATOM 405 C THR A 27 -9.724 -12.711 -5.837 1.00 43.20 C ATOM 406 O THR A 27 -9.985 -13.186 -6.948 1.00 52.12 O ATOM 407 CB THR A 27 -11.181 -13.599 -3.974 1.00 60.22 C ATOM 408 OG1 THR A 27 -10.025 -14.059 -3.264 1.00 55.14 O ATOM 409 CG2 THR A 27 -11.738 -14.736 -4.818 1.00 63.14 C ATOM 0 H THR A 27 -12.532 -12.531 -6.050 1.00 53.51 H new ATOM 0 HA THR A 27 -10.459 -11.576 -4.184 1.00 3.34 H new ATOM 0 HB THR A 27 -11.948 -13.288 -3.264 1.00 60.22 H new ATOM 0 HG1 THR A 27 -10.264 -14.839 -2.721 1.00 55.14 H new ATOM 0 HG21 THR A 27 -11.972 -15.585 -4.176 1.00 63.14 H new ATOM 0 HG22 THR A 27 -12.644 -14.403 -5.324 1.00 63.14 H new ATOM 0 HG23 THR A 27 -10.997 -15.036 -5.559 1.00 63.14 H new ATOM 417 N SER A 28 -8.490 -12.449 -5.430 1.00 23.54 N ATOM 418 CA SER A 28 -7.326 -12.754 -6.242 1.00 22.03 C ATOM 419 C SER A 28 -6.779 -14.129 -5.866 1.00 14.30 C ATOM 420 O SER A 28 -6.595 -14.427 -4.686 1.00 32.51 O ATOM 421 CB SER A 28 -6.253 -11.686 -6.029 1.00 23.21 C ATOM 422 OG SER A 28 -6.781 -10.383 -6.234 1.00 51.11 O ATOM 0 H SER A 28 -8.270 -12.021 -4.531 1.00 23.54 H new ATOM 0 HA SER A 28 -7.613 -12.763 -7.293 1.00 22.03 H new ATOM 0 HB2 SER A 28 -5.853 -11.765 -5.018 1.00 23.21 H new ATOM 0 HB3 SER A 28 -5.423 -11.858 -6.715 1.00 23.21 H new ATOM 0 HG SER A 28 -7.126 -10.310 -7.148 1.00 51.11 H new ATOM 428 N LEU A 29 -6.534 -14.964 -6.867 1.00 60.25 N ATOM 429 CA LEU A 29 -6.035 -16.315 -6.628 1.00 24.55 C ATOM 430 C LEU A 29 -4.595 -16.286 -6.129 1.00 12.10 C ATOM 431 O LEU A 29 -4.216 -17.083 -5.271 1.00 65.12 O ATOM 432 CB LEU A 29 -6.117 -17.175 -7.899 1.00 52.33 C ATOM 433 CG LEU A 29 -7.529 -17.512 -8.401 1.00 2.03 C ATOM 434 CD1 LEU A 29 -8.395 -18.041 -7.268 1.00 71.35 C ATOM 435 CD2 LEU A 29 -8.178 -16.308 -9.070 1.00 60.32 C ATOM 0 H LEU A 29 -6.672 -14.732 -7.851 1.00 60.25 H new ATOM 0 HA LEU A 29 -6.670 -16.760 -5.862 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -5.584 -16.658 -8.697 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -5.587 -18.109 -7.715 1.00 52.33 H new ATOM 0 HG LEU A 29 -7.438 -18.298 -9.151 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -9.390 -18.273 -7.648 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -7.944 -18.944 -6.857 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -8.472 -17.286 -6.486 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -9.176 -16.578 -9.415 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -8.250 -15.489 -8.354 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -7.573 -15.994 -9.921 1.00 60.32 H new ATOM 447 N VAL A 30 -3.812 -15.349 -6.662 1.00 4.40 N ATOM 448 CA VAL A 30 -2.383 -15.259 -6.368 1.00 1.44 C ATOM 449 C VAL A 30 -1.679 -16.532 -6.831 1.00 64.14 C ATOM 450 O VAL A 30 -1.557 -17.506 -6.089 1.00 15.34 O ATOM 451 CB VAL A 30 -2.099 -15.007 -4.869 1.00 71.32 C ATOM 452 CG1 VAL A 30 -0.603 -14.877 -4.618 1.00 52.04 C ATOM 453 CG2 VAL A 30 -2.831 -13.760 -4.391 1.00 30.41 C ATOM 0 H VAL A 30 -4.149 -14.634 -7.307 1.00 4.40 H new ATOM 0 HA VAL A 30 -1.993 -14.400 -6.913 1.00 1.44 H new ATOM 0 HB VAL A 30 -2.466 -15.863 -4.303 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -0.426 -14.700 -3.557 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -0.102 -15.796 -4.921 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -0.208 -14.041 -5.196 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -2.620 -13.597 -3.334 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -2.493 -12.897 -4.965 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -3.904 -13.892 -4.531 1.00 30.41 H new ATOM 463 N GLY A 31 -1.230 -16.511 -8.074 1.00 42.32 N ATOM 464 CA GLY A 31 -0.715 -17.704 -8.709 1.00 63.24 C ATOM 465 C GLY A 31 -1.369 -17.901 -10.056 1.00 24.53 C ATOM 466 O GLY A 31 -0.719 -18.267 -11.034 1.00 24.33 O ATOM 0 H GLY A 31 -1.213 -15.677 -8.662 1.00 42.32 H new ATOM 0 HA2 GLY A 31 0.365 -17.623 -8.829 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -0.901 -18.571 -8.076 1.00 63.24 H new ATOM 470 N ASP A 32 -2.670 -17.653 -10.093 1.00 54.21 N ATOM 471 CA ASP A 32 -3.418 -17.583 -11.339 1.00 24.22 C ATOM 472 C ASP A 32 -3.980 -16.179 -11.483 1.00 21.34 C ATOM 473 O ASP A 32 -4.946 -15.819 -10.814 1.00 50.54 O ATOM 474 CB ASP A 32 -4.553 -18.617 -11.369 1.00 33.31 C ATOM 475 CG ASP A 32 -4.043 -20.042 -11.428 1.00 63.05 C ATOM 476 OD1 ASP A 32 -3.667 -20.501 -12.527 1.00 71.24 O ATOM 477 OD2 ASP A 32 -4.005 -20.711 -10.372 1.00 1.50 O ATOM 0 H ASP A 32 -3.237 -17.495 -9.260 1.00 54.21 H new ATOM 0 HA ASP A 32 -2.751 -17.810 -12.171 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -5.175 -18.494 -10.482 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -5.190 -18.427 -12.233 1.00 33.31 H new ATOM 482 N ASN A 33 -3.346 -15.372 -12.318 1.00 11.01 N ATOM 483 CA ASN A 33 -3.706 -13.962 -12.430 1.00 33.31 C ATOM 484 C ASN A 33 -4.321 -13.640 -13.787 1.00 73.15 C ATOM 485 O ASN A 33 -4.405 -12.476 -14.181 1.00 35.41 O ATOM 486 CB ASN A 33 -2.479 -13.075 -12.170 1.00 23.21 C ATOM 487 CG ASN A 33 -1.287 -13.425 -13.045 1.00 63.34 C ATOM 488 OD1 ASN A 33 -1.438 -13.886 -14.177 1.00 61.15 O ATOM 489 ND2 ASN A 33 -0.086 -13.214 -12.522 1.00 30.04 N ATOM 0 H ASN A 33 -2.582 -15.664 -12.927 1.00 11.01 H new ATOM 0 HA ASN A 33 -4.461 -13.753 -11.672 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -2.751 -12.033 -12.338 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -2.190 -13.164 -11.123 1.00 23.21 H new ATOM 0 HD21 ASN A 33 0.751 -13.435 -13.061 1.00 30.04 H new ATOM 0 HD22 ASN A 33 0.000 -12.831 -11.581 1.00 30.04 H new ATOM 496 N ASN A 34 -4.763 -14.671 -14.496 1.00 61.41 N ATOM 497 CA ASN A 34 -5.440 -14.485 -15.777 1.00 4.13 C ATOM 498 C ASN A 34 -6.797 -13.826 -15.568 1.00 1.44 C ATOM 499 O ASN A 34 -7.292 -13.097 -16.429 1.00 40.12 O ATOM 500 CB ASN A 34 -5.626 -15.828 -16.489 1.00 53.13 C ATOM 501 CG ASN A 34 -4.317 -16.434 -16.955 1.00 60.20 C ATOM 502 OD1 ASN A 34 -3.659 -17.163 -16.214 1.00 22.32 O ATOM 503 ND2 ASN A 34 -3.931 -16.139 -18.188 1.00 24.41 N ATOM 0 H ASN A 34 -4.666 -15.645 -14.208 1.00 61.41 H new ATOM 0 HA ASN A 34 -4.819 -13.839 -16.398 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -6.124 -16.525 -15.815 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -6.283 -15.690 -17.348 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -3.059 -16.521 -18.555 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -4.506 -15.530 -18.770 1.00 24.41 H new ATOM 510 N HIS A 35 -7.391 -14.092 -14.413 1.00 11.54 N ATOM 511 CA HIS A 35 -8.682 -13.524 -14.049 1.00 21.41 C ATOM 512 C HIS A 35 -8.862 -13.607 -12.544 1.00 54.15 C ATOM 513 O HIS A 35 -8.134 -14.336 -11.872 1.00 54.44 O ATOM 514 CB HIS A 35 -9.820 -14.270 -14.758 1.00 25.33 C ATOM 515 CG HIS A 35 -10.584 -13.420 -15.729 1.00 13.33 C ATOM 516 ND1 HIS A 35 -9.985 -12.727 -16.754 1.00 35.21 N ATOM 517 CD2 HIS A 35 -11.908 -13.152 -15.821 1.00 50.13 C ATOM 518 CE1 HIS A 35 -10.903 -12.067 -17.434 1.00 24.43 C ATOM 519 NE2 HIS A 35 -12.081 -12.308 -16.892 1.00 23.03 N ATOM 0 H HIS A 35 -6.993 -14.706 -13.703 1.00 11.54 H new ATOM 0 HA HIS A 35 -8.711 -12.480 -14.362 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -9.406 -15.128 -15.287 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -10.509 -14.660 -14.009 1.00 25.33 H new ATOM 0 HD1 HIS A 35 -8.985 -12.724 -16.957 1.00 35.21 H new ATOM 0 HD2 HIS A 35 -12.684 -13.531 -15.173 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -10.720 -11.435 -18.291 1.00 24.43 H new ATOM 528 N TYR A 36 -9.811 -12.854 -12.020 1.00 43.33 N ATOM 529 CA TYR A 36 -10.105 -12.884 -10.596 1.00 71.31 C ATOM 530 C TYR A 36 -11.406 -13.639 -10.365 1.00 40.50 C ATOM 531 O TYR A 36 -12.261 -13.688 -11.253 1.00 24.43 O ATOM 532 CB TYR A 36 -10.209 -11.461 -10.040 1.00 22.12 C ATOM 533 CG TYR A 36 -9.008 -10.593 -10.356 1.00 15.02 C ATOM 534 CD1 TYR A 36 -7.864 -10.634 -9.567 1.00 41.21 C ATOM 535 CD2 TYR A 36 -9.018 -9.739 -11.451 1.00 43.30 C ATOM 536 CE1 TYR A 36 -6.766 -9.844 -9.861 1.00 62.32 C ATOM 537 CE2 TYR A 36 -7.926 -8.948 -11.751 1.00 62.54 C ATOM 538 CZ TYR A 36 -6.802 -9.003 -10.956 1.00 1.54 C ATOM 539 OH TYR A 36 -5.713 -8.211 -11.257 1.00 12.31 O ATOM 0 H TYR A 36 -10.393 -12.213 -12.558 1.00 43.33 H new ATOM 0 HA TYR A 36 -9.295 -13.394 -10.074 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -11.104 -10.988 -10.443 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -10.335 -11.512 -8.958 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -7.831 -11.292 -8.712 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -9.895 -9.692 -12.079 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -5.885 -9.885 -9.237 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -7.953 -8.289 -12.606 1.00 62.54 H new ATOM 0 HH TYR A 36 -5.905 -7.681 -12.059 1.00 12.31 H new ATOM 549 N SER A 37 -11.555 -14.226 -9.190 1.00 2.23 N ATOM 550 CA SER A 37 -12.731 -15.027 -8.895 1.00 21.11 C ATOM 551 C SER A 37 -13.817 -14.173 -8.251 1.00 62.15 C ATOM 552 O SER A 37 -13.548 -13.394 -7.333 1.00 50.13 O ATOM 553 CB SER A 37 -12.364 -16.195 -7.979 1.00 62.23 C ATOM 554 OG SER A 37 -11.324 -16.974 -8.542 1.00 63.00 O ATOM 0 H SER A 37 -10.880 -14.164 -8.428 1.00 2.23 H new ATOM 0 HA SER A 37 -13.117 -15.425 -9.833 1.00 21.11 H new ATOM 0 HB2 SER A 37 -12.053 -15.815 -7.006 1.00 62.23 H new ATOM 0 HB3 SER A 37 -13.241 -16.820 -7.811 1.00 62.23 H new ATOM 0 HG SER A 37 -11.628 -17.362 -9.389 1.00 63.00 H new ATOM 560 N ILE A 38 -15.040 -14.327 -8.732 1.00 34.53 N ATOM 561 CA ILE A 38 -16.160 -13.566 -8.215 1.00 12.35 C ATOM 562 C ILE A 38 -16.953 -14.415 -7.232 1.00 21.51 C ATOM 563 O ILE A 38 -17.636 -15.363 -7.624 1.00 24.12 O ATOM 564 CB ILE A 38 -17.099 -13.093 -9.348 1.00 73.40 C ATOM 565 CG1 ILE A 38 -16.321 -12.288 -10.396 1.00 24.33 C ATOM 566 CG2 ILE A 38 -18.245 -12.266 -8.776 1.00 23.22 C ATOM 567 CD1 ILE A 38 -15.653 -11.044 -9.846 1.00 24.22 C ATOM 0 H ILE A 38 -15.280 -14.975 -9.482 1.00 34.53 H new ATOM 0 HA ILE A 38 -15.757 -12.687 -7.713 1.00 12.35 H new ATOM 0 HB ILE A 38 -17.518 -13.972 -9.838 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -15.561 -12.930 -10.841 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -17.002 -11.999 -11.196 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -18.898 -11.940 -9.586 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -18.815 -12.872 -8.072 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -17.843 -11.394 -8.261 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -15.124 -10.530 -10.648 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -16.409 -10.380 -9.427 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -14.945 -11.326 -9.066 1.00 24.22 H new ATOM 579 N LYS A 39 -16.829 -14.092 -5.955 1.00 62.41 N ATOM 580 CA LYS A 39 -17.558 -14.800 -4.919 1.00 70.34 C ATOM 581 C LYS A 39 -18.875 -14.096 -4.632 1.00 25.51 C ATOM 582 O LYS A 39 -18.893 -12.917 -4.280 1.00 73.43 O ATOM 583 CB LYS A 39 -16.725 -14.894 -3.640 1.00 35.52 C ATOM 584 CG LYS A 39 -15.418 -15.650 -3.814 1.00 1.32 C ATOM 585 CD LYS A 39 -14.643 -15.726 -2.511 1.00 0.22 C ATOM 586 CE LYS A 39 -15.409 -16.500 -1.448 1.00 64.33 C ATOM 587 NZ LYS A 39 -14.700 -16.490 -0.144 1.00 52.43 N ATOM 0 H LYS A 39 -16.229 -13.342 -5.612 1.00 62.41 H new ATOM 0 HA LYS A 39 -17.764 -15.810 -5.273 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -16.507 -13.887 -3.285 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -17.317 -15.384 -2.867 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -15.624 -16.657 -4.175 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -14.810 -15.158 -4.573 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -13.680 -16.205 -2.687 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -14.437 -14.718 -2.150 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -16.401 -16.066 -1.326 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -15.550 -17.529 -1.778 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -15.252 -17.027 0.555 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -13.763 -16.927 -0.255 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -14.588 -15.509 0.183 1.00 52.43 H new ATOM 601 N VAL A 40 -19.967 -14.820 -4.800 1.00 63.22 N ATOM 602 CA VAL A 40 -21.291 -14.271 -4.575 1.00 35.24 C ATOM 603 C VAL A 40 -21.927 -14.898 -3.343 1.00 33.00 C ATOM 604 O VAL A 40 -22.240 -16.091 -3.327 1.00 4.22 O ATOM 605 CB VAL A 40 -22.212 -14.497 -5.793 1.00 25.43 C ATOM 606 CG1 VAL A 40 -23.585 -13.885 -5.555 1.00 2.44 C ATOM 607 CG2 VAL A 40 -21.581 -13.931 -7.058 1.00 42.04 C ATOM 0 H VAL A 40 -19.962 -15.797 -5.094 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.174 -13.198 -4.421 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.339 -15.571 -5.927 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.216 -14.057 -6.427 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -24.042 -14.346 -4.679 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.481 -12.813 -5.388 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.247 -14.101 -7.904 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.417 -12.860 -6.935 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -20.627 -14.426 -7.242 1.00 42.04 H new ATOM 617 N ILE A 41 -22.096 -14.097 -2.302 1.00 54.23 N ATOM 618 CA ILE A 41 -22.761 -14.548 -1.092 1.00 33.03 C ATOM 619 C ILE A 41 -24.160 -13.948 -1.023 1.00 40.43 C ATOM 620 O ILE A 41 -24.326 -12.791 -0.649 1.00 0.12 O ATOM 621 CB ILE A 41 -21.968 -14.158 0.177 1.00 63.32 C ATOM 622 CG1 ILE A 41 -20.525 -14.678 0.096 1.00 72.31 C ATOM 623 CG2 ILE A 41 -22.658 -14.698 1.424 1.00 50.41 C ATOM 624 CD1 ILE A 41 -20.422 -16.184 -0.024 1.00 73.31 C ATOM 0 H ILE A 41 -21.780 -13.128 -2.272 1.00 54.23 H new ATOM 0 HA ILE A 41 -22.821 -15.636 -1.129 1.00 33.03 H new ATOM 0 HB ILE A 41 -21.938 -13.070 0.240 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -20.032 -14.220 -0.762 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -19.983 -14.356 0.985 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -22.086 -14.414 2.308 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -23.663 -14.282 1.493 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -22.719 -15.785 1.365 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -19.373 -16.474 -0.076 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -20.885 -16.651 0.846 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -20.935 -16.513 -0.928 1.00 73.31 H new ATOM 636 N SER A 42 -25.158 -14.719 -1.419 1.00 20.34 N ATOM 637 CA SER A 42 -26.523 -14.227 -1.428 1.00 24.41 C ATOM 638 C SER A 42 -27.470 -15.219 -0.769 1.00 53.10 C ATOM 639 O SER A 42 -27.343 -16.436 -0.944 1.00 71.22 O ATOM 640 CB SER A 42 -26.979 -13.948 -2.862 1.00 15.34 C ATOM 641 OG SER A 42 -28.262 -13.350 -2.878 1.00 44.11 O ATOM 0 H SER A 42 -25.049 -15.682 -1.737 1.00 20.34 H new ATOM 0 HA SER A 42 -26.546 -13.299 -0.857 1.00 24.41 H new ATOM 0 HB2 SER A 42 -26.262 -13.292 -3.355 1.00 15.34 H new ATOM 0 HB3 SER A 42 -27.000 -14.879 -3.428 1.00 15.34 H new ATOM 0 HG SER A 42 -28.282 -12.602 -2.245 1.00 44.11 H new ATOM 647 N SER A 43 -28.437 -14.683 -0.034 1.00 30.43 N ATOM 648 CA SER A 43 -29.448 -15.491 0.635 1.00 73.12 C ATOM 649 C SER A 43 -30.352 -16.190 -0.380 1.00 23.01 C ATOM 650 O SER A 43 -31.205 -16.990 -0.017 1.00 1.22 O ATOM 651 CB SER A 43 -30.281 -14.604 1.560 1.00 14.53 C ATOM 652 OG SER A 43 -29.447 -13.864 2.436 1.00 21.44 O ATOM 0 H SER A 43 -28.542 -13.679 0.114 1.00 30.43 H new ATOM 0 HA SER A 43 -28.946 -16.260 1.223 1.00 73.12 H new ATOM 0 HB2 SER A 43 -30.888 -13.921 0.966 1.00 14.53 H new ATOM 0 HB3 SER A 43 -30.968 -15.220 2.140 1.00 14.53 H new ATOM 0 HG SER A 43 -30.000 -13.302 3.018 1.00 21.44 H new ATOM 658 N GLN A 44 -30.154 -15.880 -1.654 1.00 22.21 N ATOM 659 CA GLN A 44 -30.914 -16.505 -2.723 1.00 35.52 C ATOM 660 C GLN A 44 -30.292 -17.834 -3.139 1.00 53.44 C ATOM 661 O GLN A 44 -30.862 -18.561 -3.949 1.00 5.22 O ATOM 662 CB GLN A 44 -30.989 -15.568 -3.928 1.00 53.01 C ATOM 663 CG GLN A 44 -31.830 -14.327 -3.683 1.00 53.14 C ATOM 664 CD GLN A 44 -33.283 -14.656 -3.413 1.00 12.44 C ATOM 665 OE1 GLN A 44 -33.686 -14.849 -2.265 1.00 4.51 O ATOM 666 NE2 GLN A 44 -34.080 -14.724 -4.467 1.00 42.54 N ATOM 0 H GLN A 44 -29.468 -15.195 -1.972 1.00 22.21 H new ATOM 0 HA GLN A 44 -31.920 -16.701 -2.352 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -29.979 -15.264 -4.204 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -31.401 -16.114 -4.777 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -31.422 -13.777 -2.835 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -31.765 -13.670 -4.551 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -33.706 -14.557 -5.401 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -35.069 -14.943 -4.345 1.00 42.54 H new ATOM 675 N PHE A 45 -29.120 -18.149 -2.585 1.00 2.34 N ATOM 676 CA PHE A 45 -28.426 -19.386 -2.935 1.00 54.05 C ATOM 677 C PHE A 45 -28.579 -20.452 -1.854 1.00 52.21 C ATOM 678 O PHE A 45 -27.944 -21.505 -1.925 1.00 54.32 O ATOM 679 CB PHE A 45 -26.939 -19.126 -3.173 1.00 21.10 C ATOM 680 CG PHE A 45 -26.641 -18.402 -4.453 1.00 62.12 C ATOM 681 CD1 PHE A 45 -26.667 -19.075 -5.661 1.00 10.23 C ATOM 682 CD2 PHE A 45 -26.313 -17.059 -4.445 1.00 52.02 C ATOM 683 CE1 PHE A 45 -26.370 -18.423 -6.842 1.00 25.21 C ATOM 684 CE2 PHE A 45 -26.020 -16.398 -5.622 1.00 22.14 C ATOM 685 CZ PHE A 45 -26.047 -17.080 -6.821 1.00 32.51 C ATOM 0 H PHE A 45 -28.636 -17.570 -1.899 1.00 2.34 H new ATOM 0 HA PHE A 45 -28.886 -19.754 -3.852 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -26.545 -18.545 -2.339 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -26.410 -20.079 -3.176 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -26.923 -20.124 -5.681 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -26.286 -16.521 -3.509 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -26.390 -18.961 -7.778 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -25.770 -15.348 -5.604 1.00 22.14 H new ATOM 0 HZ PHE A 45 -25.816 -16.565 -7.742 1.00 32.51 H new ATOM 695 N GLN A 46 -29.428 -20.195 -0.870 1.00 72.45 N ATOM 696 CA GLN A 46 -29.603 -21.134 0.230 1.00 75.13 C ATOM 697 C GLN A 46 -30.363 -22.381 -0.226 1.00 33.34 C ATOM 698 O GLN A 46 -31.474 -22.302 -0.760 1.00 13.13 O ATOM 699 CB GLN A 46 -30.312 -20.462 1.409 1.00 64.41 C ATOM 700 CG GLN A 46 -31.660 -19.861 1.059 1.00 21.44 C ATOM 701 CD GLN A 46 -32.314 -19.165 2.235 1.00 44.02 C ATOM 702 OE1 GLN A 46 -31.639 -18.629 3.118 1.00 34.13 O ATOM 703 NE2 GLN A 46 -33.632 -19.172 2.260 1.00 64.01 N ATOM 0 H GLN A 46 -30.001 -19.354 -0.809 1.00 72.45 H new ATOM 0 HA GLN A 46 -28.614 -21.450 0.563 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -30.448 -21.196 2.203 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -29.668 -19.677 1.807 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -31.535 -19.148 0.244 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -32.320 -20.648 0.695 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -34.154 -19.626 1.510 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -34.130 -18.723 3.029 1.00 64.01 H new ATOM 712 N GLY A 47 -29.741 -23.532 -0.023 1.00 61.23 N ATOM 713 CA GLY A 47 -30.348 -24.793 -0.392 1.00 30.52 C ATOM 714 C GLY A 47 -30.213 -25.109 -1.868 1.00 5.25 C ATOM 715 O GLY A 47 -30.820 -26.059 -2.363 1.00 33.03 O ATOM 0 H GLY A 47 -28.815 -23.615 0.396 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -29.889 -25.594 0.188 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -31.405 -24.772 -0.126 1.00 30.52 H new ATOM 719 N LYS A 48 -29.417 -24.323 -2.578 1.00 74.22 N ATOM 720 CA LYS A 48 -29.230 -24.542 -4.004 1.00 25.13 C ATOM 721 C LYS A 48 -28.205 -25.633 -4.258 1.00 55.24 C ATOM 722 O LYS A 48 -27.109 -25.628 -3.697 1.00 42.13 O ATOM 723 CB LYS A 48 -28.820 -23.256 -4.722 1.00 2.30 C ATOM 724 CG LYS A 48 -30.000 -22.394 -5.157 1.00 31.41 C ATOM 725 CD LYS A 48 -30.838 -21.930 -3.980 1.00 43.32 C ATOM 726 CE LYS A 48 -32.178 -21.374 -4.432 1.00 50.32 C ATOM 727 NZ LYS A 48 -33.073 -22.437 -4.965 1.00 10.22 N ATOM 0 H LYS A 48 -28.895 -23.535 -2.194 1.00 74.22 H new ATOM 0 HA LYS A 48 -30.190 -24.864 -4.408 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -28.178 -22.671 -4.063 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -28.227 -23.514 -5.599 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -29.631 -21.525 -5.703 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -30.627 -22.961 -5.846 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -31.001 -22.764 -3.297 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -30.295 -21.165 -3.425 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -32.665 -20.877 -3.593 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -32.016 -20.618 -5.200 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -34.041 -22.283 -4.616 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -33.071 -22.404 -6.004 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -32.734 -23.368 -4.648 1.00 10.22 H new ATOM 741 N SER A 49 -28.584 -26.559 -5.111 1.00 13.41 N ATOM 742 CA SER A 49 -27.741 -27.686 -5.463 1.00 51.51 C ATOM 743 C SER A 49 -26.789 -27.289 -6.582 1.00 12.24 C ATOM 744 O SER A 49 -27.010 -26.279 -7.250 1.00 74.40 O ATOM 745 CB SER A 49 -28.618 -28.863 -5.897 1.00 73.24 C ATOM 746 OG SER A 49 -29.560 -28.460 -6.882 1.00 23.44 O ATOM 0 H SER A 49 -29.488 -26.554 -5.583 1.00 13.41 H new ATOM 0 HA SER A 49 -27.151 -27.986 -4.597 1.00 51.51 H new ATOM 0 HB2 SER A 49 -27.991 -29.662 -6.293 1.00 73.24 H new ATOM 0 HB3 SER A 49 -29.142 -29.269 -5.032 1.00 73.24 H new ATOM 0 HG SER A 49 -30.108 -29.229 -7.145 1.00 23.44 H new ATOM 752 N LYS A 50 -25.743 -28.083 -6.793 1.00 4.42 N ATOM 753 CA LYS A 50 -24.759 -27.773 -7.823 1.00 71.43 C ATOM 754 C LYS A 50 -25.407 -27.693 -9.189 1.00 23.45 C ATOM 755 O LYS A 50 -25.070 -26.825 -9.986 1.00 32.41 O ATOM 756 CB LYS A 50 -23.629 -28.802 -7.862 1.00 4.10 C ATOM 757 CG LYS A 50 -24.093 -30.246 -7.950 1.00 64.11 C ATOM 758 CD LYS A 50 -22.919 -31.208 -7.914 1.00 23.40 C ATOM 759 CE LYS A 50 -22.107 -31.043 -6.640 1.00 14.31 C ATOM 760 NZ LYS A 50 -20.974 -31.999 -6.572 1.00 52.11 N ATOM 0 H LYS A 50 -25.557 -28.938 -6.269 1.00 4.42 H new ATOM 0 HA LYS A 50 -24.335 -26.802 -7.565 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -22.988 -28.587 -8.717 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -23.017 -28.684 -6.968 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -24.769 -30.464 -7.123 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -24.658 -30.393 -8.871 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -23.284 -32.233 -7.985 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -22.279 -31.037 -8.780 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -21.725 -30.024 -6.584 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -22.756 -31.188 -5.776 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -20.448 -31.851 -5.687 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -21.339 -32.972 -6.599 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -20.340 -31.844 -7.382 1.00 52.11 H new ATOM 774 N LEU A 51 -26.342 -28.595 -9.454 1.00 35.35 N ATOM 775 CA LEU A 51 -27.006 -28.639 -10.745 1.00 23.42 C ATOM 776 C LEU A 51 -27.730 -27.321 -11.000 1.00 5.20 C ATOM 777 O LEU A 51 -27.584 -26.705 -12.064 1.00 63.51 O ATOM 778 CB LEU A 51 -28.003 -29.802 -10.802 1.00 12.31 C ATOM 779 CG LEU A 51 -27.409 -31.188 -10.545 1.00 32.31 C ATOM 780 CD1 LEU A 51 -28.499 -32.247 -10.565 1.00 43.12 C ATOM 781 CD2 LEU A 51 -26.332 -31.510 -11.570 1.00 32.51 C ATOM 0 H LEU A 51 -26.656 -29.304 -8.792 1.00 35.35 H new ATOM 0 HA LEU A 51 -26.252 -28.792 -11.517 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -28.789 -29.621 -10.069 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -28.477 -29.805 -11.784 1.00 12.31 H new ATOM 0 HG LEU A 51 -26.949 -31.185 -9.557 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -28.058 -33.227 -10.380 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -29.233 -32.028 -9.790 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -28.988 -32.247 -11.539 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -25.923 -32.500 -11.369 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -26.765 -31.492 -12.570 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -25.536 -30.768 -11.506 1.00 32.51 H new ATOM 793 N GLU A 52 -28.498 -26.896 -10.003 1.00 71.20 N ATOM 794 CA GLU A 52 -29.198 -25.641 -10.035 1.00 3.31 C ATOM 795 C GLU A 52 -28.219 -24.481 -10.191 1.00 30.12 C ATOM 796 O GLU A 52 -28.397 -23.621 -11.052 1.00 1.51 O ATOM 797 CB GLU A 52 -29.976 -25.497 -8.736 1.00 30.33 C ATOM 798 CG GLU A 52 -31.051 -24.451 -8.803 1.00 23.32 C ATOM 799 CD GLU A 52 -31.739 -24.223 -7.472 1.00 25.24 C ATOM 800 OE1 GLU A 52 -31.413 -24.929 -6.497 1.00 61.13 O ATOM 801 OE2 GLU A 52 -32.603 -23.328 -7.390 1.00 33.02 O ATOM 0 H GLU A 52 -28.646 -27.428 -9.145 1.00 71.20 H new ATOM 0 HA GLU A 52 -29.877 -25.621 -10.887 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -30.427 -26.456 -8.482 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -29.284 -25.247 -7.932 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -30.616 -23.512 -9.146 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -31.794 -24.748 -9.543 1.00 23.32 H new ATOM 808 N GLN A 53 -27.180 -24.476 -9.354 1.00 12.11 N ATOM 809 CA GLN A 53 -26.151 -23.441 -9.404 1.00 42.34 C ATOM 810 C GLN A 53 -25.547 -23.349 -10.796 1.00 43.01 C ATOM 811 O GLN A 53 -25.437 -22.265 -11.361 1.00 50.30 O ATOM 812 CB GLN A 53 -25.042 -23.721 -8.387 1.00 43.04 C ATOM 813 CG GLN A 53 -25.488 -23.630 -6.936 1.00 62.32 C ATOM 814 CD GLN A 53 -24.371 -23.960 -5.962 1.00 34.52 C ATOM 815 OE1 GLN A 53 -23.195 -23.721 -6.241 1.00 70.33 O ATOM 816 NE2 GLN A 53 -24.726 -24.516 -4.814 1.00 33.33 N ATOM 0 H GLN A 53 -27.031 -25.181 -8.632 1.00 12.11 H new ATOM 0 HA GLN A 53 -26.627 -22.492 -9.156 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -24.640 -24.718 -8.570 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -24.228 -23.014 -8.550 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -25.856 -22.624 -6.735 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -26.322 -24.313 -6.772 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -25.710 -24.699 -4.619 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -24.015 -24.762 -4.125 1.00 33.33 H new ATOM 825 N HIS A 54 -25.189 -24.499 -11.359 1.00 11.40 N ATOM 826 CA HIS A 54 -24.575 -24.538 -12.681 1.00 50.22 C ATOM 827 C HIS A 54 -25.511 -23.947 -13.725 1.00 75.33 C ATOM 828 O HIS A 54 -25.088 -23.139 -14.549 1.00 22.05 O ATOM 829 CB HIS A 54 -24.188 -25.971 -13.073 1.00 60.03 C ATOM 830 CG HIS A 54 -23.129 -26.575 -12.198 1.00 0.23 C ATOM 831 ND1 HIS A 54 -22.985 -27.936 -12.013 1.00 44.12 N ATOM 832 CD2 HIS A 54 -22.170 -25.995 -11.440 1.00 72.31 C ATOM 833 CE1 HIS A 54 -21.992 -28.165 -11.178 1.00 21.24 C ATOM 834 NE2 HIS A 54 -21.477 -27.004 -10.814 1.00 73.11 N ATOM 0 H HIS A 54 -25.313 -25.412 -10.922 1.00 11.40 H new ATOM 0 HA HIS A 54 -23.666 -23.937 -12.641 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -25.078 -26.600 -13.037 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -23.838 -25.973 -14.105 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -21.983 -24.936 -11.344 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -21.656 -29.137 -10.847 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -20.693 -26.877 -10.173 1.00 73.11 H new ATOM 843 N ARG A 55 -26.783 -24.342 -13.684 1.00 60.31 N ATOM 844 CA ARG A 55 -27.767 -23.811 -14.604 1.00 40.14 C ATOM 845 C ARG A 55 -27.930 -22.300 -14.444 1.00 43.34 C ATOM 846 O ARG A 55 -28.011 -21.576 -15.435 1.00 3.25 O ATOM 847 CB ARG A 55 -29.110 -24.503 -14.404 1.00 52.11 C ATOM 848 CG ARG A 55 -29.815 -24.738 -15.716 1.00 35.13 C ATOM 849 CD ARG A 55 -31.227 -25.268 -15.539 1.00 61.41 C ATOM 850 NE ARG A 55 -31.945 -25.300 -16.812 1.00 74.14 N ATOM 851 CZ ARG A 55 -33.153 -25.831 -16.985 1.00 14.23 C ATOM 852 NH1 ARG A 55 -33.787 -26.408 -15.970 1.00 74.13 N ATOM 853 NH2 ARG A 55 -33.730 -25.781 -18.182 1.00 52.14 N ATOM 0 H ARG A 55 -27.148 -25.027 -13.022 1.00 60.31 H new ATOM 0 HA ARG A 55 -27.409 -24.006 -15.615 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -28.957 -25.456 -13.897 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -29.740 -23.894 -13.756 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -29.850 -23.804 -16.277 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -29.238 -25.446 -16.311 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -31.191 -26.271 -15.114 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -31.767 -24.641 -14.830 1.00 61.41 H new ATOM 0 HE ARG A 55 -31.488 -24.886 -17.625 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -33.348 -26.446 -15.050 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -34.713 -26.813 -16.111 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -33.247 -25.337 -18.963 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -34.656 -26.187 -18.319 1.00 52.14 H new ATOM 867 N MET A 56 -27.974 -21.828 -13.203 1.00 5.13 N ATOM 868 CA MET A 56 -28.124 -20.399 -12.934 1.00 13.24 C ATOM 869 C MET A 56 -26.931 -19.610 -13.466 1.00 73.24 C ATOM 870 O MET A 56 -27.103 -18.584 -14.126 1.00 12.14 O ATOM 871 CB MET A 56 -28.300 -20.139 -11.435 1.00 12.34 C ATOM 872 CG MET A 56 -29.632 -20.620 -10.877 1.00 75.15 C ATOM 873 SD MET A 56 -29.868 -20.161 -9.148 1.00 61.02 S ATOM 874 CE MET A 56 -28.516 -21.042 -8.372 1.00 11.14 C ATOM 0 H MET A 56 -27.908 -22.411 -12.368 1.00 5.13 H new ATOM 0 HA MET A 56 -29.020 -20.060 -13.454 1.00 13.24 H new ATOM 0 HB2 MET A 56 -27.492 -20.631 -10.894 1.00 12.34 H new ATOM 0 HB3 MET A 56 -28.204 -19.069 -11.248 1.00 12.34 H new ATOM 0 HG2 MET A 56 -30.443 -20.203 -11.474 1.00 75.15 H new ATOM 0 HG3 MET A 56 -29.691 -21.704 -10.972 1.00 75.15 H new ATOM 0 HE1 MET A 56 -28.519 -20.842 -7.301 1.00 11.14 H new ATOM 0 HE2 MET A 56 -28.634 -22.112 -8.542 1.00 11.14 H new ATOM 0 HE3 MET A 56 -27.571 -20.709 -8.801 1.00 11.14 H new ATOM 884 N ILE A 57 -25.727 -20.095 -13.182 1.00 55.45 N ATOM 885 CA ILE A 57 -24.506 -19.470 -13.681 1.00 13.21 C ATOM 886 C ILE A 57 -24.508 -19.449 -15.212 1.00 34.43 C ATOM 887 O ILE A 57 -24.242 -18.421 -15.836 1.00 62.10 O ATOM 888 CB ILE A 57 -23.255 -20.219 -13.178 1.00 42.03 C ATOM 889 CG1 ILE A 57 -23.217 -20.214 -11.646 1.00 2.03 C ATOM 890 CG2 ILE A 57 -21.991 -19.590 -13.746 1.00 32.31 C ATOM 891 CD1 ILE A 57 -22.173 -21.140 -11.060 1.00 2.10 C ATOM 0 H ILE A 57 -25.570 -20.922 -12.607 1.00 55.45 H new ATOM 0 HA ILE A 57 -24.476 -18.448 -13.304 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.306 -21.252 -13.522 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -23.025 -19.199 -11.300 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -24.198 -20.500 -11.266 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -21.119 -20.132 -13.380 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -22.018 -19.639 -14.835 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -21.930 -18.548 -13.431 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -22.205 -21.083 -9.972 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -22.376 -22.163 -11.376 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -21.185 -20.842 -11.410 1.00 2.10 H new ATOM 903 N TYR A 58 -24.837 -20.594 -15.801 1.00 15.22 N ATOM 904 CA TYR A 58 -24.914 -20.733 -17.252 1.00 4.35 C ATOM 905 C TYR A 58 -25.973 -19.795 -17.836 1.00 73.40 C ATOM 906 O TYR A 58 -25.828 -19.295 -18.953 1.00 43.54 O ATOM 907 CB TYR A 58 -25.241 -22.188 -17.604 1.00 3.41 C ATOM 908 CG TYR A 58 -25.326 -22.463 -19.086 1.00 74.31 C ATOM 909 CD1 TYR A 58 -24.200 -22.377 -19.890 1.00 21.34 C ATOM 910 CD2 TYR A 58 -26.531 -22.816 -19.678 1.00 0.24 C ATOM 911 CE1 TYR A 58 -24.271 -22.631 -21.243 1.00 75.23 C ATOM 912 CE2 TYR A 58 -26.611 -23.073 -21.032 1.00 44.13 C ATOM 913 CZ TYR A 58 -25.480 -22.979 -21.812 1.00 54.23 C ATOM 914 OH TYR A 58 -25.558 -23.230 -23.165 1.00 40.03 O ATOM 0 H TYR A 58 -25.057 -21.448 -15.289 1.00 15.22 H new ATOM 0 HA TYR A 58 -23.951 -20.460 -17.684 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -24.479 -22.835 -17.169 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -26.190 -22.457 -17.141 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -23.252 -22.107 -19.449 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -27.420 -22.891 -19.070 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -23.385 -22.558 -21.856 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -27.556 -23.346 -21.477 1.00 44.13 H new ATOM 0 HH TYR A 58 -26.480 -23.462 -23.402 1.00 40.03 H new ATOM 924 N LYS A 59 -27.027 -19.558 -17.068 1.00 73.42 N ATOM 925 CA LYS A 59 -28.126 -18.709 -17.507 1.00 51.11 C ATOM 926 C LYS A 59 -27.738 -17.232 -17.460 1.00 44.10 C ATOM 927 O LYS A 59 -27.910 -16.510 -18.441 1.00 22.41 O ATOM 928 CB LYS A 59 -29.362 -18.961 -16.634 1.00 13.12 C ATOM 929 CG LYS A 59 -30.616 -18.237 -17.102 1.00 73.15 C ATOM 930 CD LYS A 59 -31.811 -18.587 -16.227 1.00 61.04 C ATOM 931 CE LYS A 59 -33.089 -17.918 -16.707 1.00 2.45 C ATOM 932 NZ LYS A 59 -33.393 -18.253 -18.123 1.00 73.34 N ATOM 0 H LYS A 59 -27.145 -19.945 -16.131 1.00 73.42 H new ATOM 0 HA LYS A 59 -28.359 -18.961 -18.542 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -29.563 -20.032 -16.609 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -29.139 -18.654 -15.612 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -30.448 -17.160 -17.079 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -30.829 -18.504 -18.137 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -31.949 -19.668 -16.219 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -31.608 -18.284 -15.200 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -33.921 -18.228 -16.074 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -32.994 -16.837 -16.602 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -34.378 -17.997 -18.336 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -32.754 -17.723 -18.750 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -33.259 -19.273 -18.275 1.00 73.34 H new ATOM 946 N VAL A 60 -27.205 -16.790 -16.321 1.00 40.42 N ATOM 947 CA VAL A 60 -26.870 -15.380 -16.133 1.00 13.04 C ATOM 948 C VAL A 60 -25.689 -14.966 -17.014 1.00 62.12 C ATOM 949 O VAL A 60 -25.642 -13.841 -17.512 1.00 21.20 O ATOM 950 CB VAL A 60 -26.570 -15.050 -14.646 1.00 40.25 C ATOM 951 CG1 VAL A 60 -25.331 -15.782 -14.145 1.00 54.03 C ATOM 952 CG2 VAL A 60 -26.423 -13.549 -14.445 1.00 74.32 C ATOM 0 H VAL A 60 -26.997 -17.385 -15.519 1.00 40.42 H new ATOM 0 HA VAL A 60 -27.746 -14.806 -16.435 1.00 13.04 H new ATOM 0 HB VAL A 60 -27.419 -15.398 -14.057 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -25.154 -15.525 -13.101 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -25.483 -16.858 -14.233 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -24.468 -15.488 -14.742 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -26.213 -13.341 -13.396 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -25.603 -13.178 -15.059 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -27.348 -13.051 -14.736 1.00 74.32 H new ATOM 962 N LEU A 61 -24.747 -15.881 -17.218 1.00 32.20 N ATOM 963 CA LEU A 61 -23.589 -15.592 -18.051 1.00 23.13 C ATOM 964 C LEU A 61 -23.973 -15.709 -19.524 1.00 43.05 C ATOM 965 O LEU A 61 -23.558 -14.894 -20.349 1.00 70.44 O ATOM 966 CB LEU A 61 -22.444 -16.559 -17.697 1.00 21.35 C ATOM 967 CG LEU A 61 -21.044 -16.206 -18.227 1.00 63.31 C ATOM 968 CD1 LEU A 61 -20.902 -16.546 -19.703 1.00 14.42 C ATOM 969 CD2 LEU A 61 -20.736 -14.733 -17.985 1.00 52.20 C ATOM 0 H LEU A 61 -24.763 -16.821 -16.821 1.00 32.20 H new ATOM 0 HA LEU A 61 -23.247 -14.574 -17.868 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -22.387 -16.633 -16.611 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -22.708 -17.548 -18.070 1.00 21.35 H new ATOM 0 HG LEU A 61 -20.321 -16.810 -17.678 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -19.900 -16.283 -20.042 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -21.065 -17.614 -19.848 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -21.639 -15.985 -20.278 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -19.741 -14.502 -18.366 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -21.474 -14.118 -18.499 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -20.772 -14.525 -16.916 1.00 52.20 H new ATOM 981 N ASP A 62 -24.802 -16.705 -19.822 1.00 51.31 N ATOM 982 CA ASP A 62 -25.239 -17.002 -21.189 1.00 11.45 C ATOM 983 C ASP A 62 -24.050 -17.101 -22.144 1.00 35.13 C ATOM 984 O ASP A 62 -23.768 -16.188 -22.922 1.00 45.22 O ATOM 985 CB ASP A 62 -26.254 -15.969 -21.693 1.00 14.42 C ATOM 986 CG ASP A 62 -26.831 -16.337 -23.047 1.00 30.25 C ATOM 987 OD1 ASP A 62 -27.217 -17.511 -23.237 1.00 64.21 O ATOM 988 OD2 ASP A 62 -26.922 -15.454 -23.924 1.00 3.33 O ATOM 0 H ASP A 62 -25.193 -17.334 -19.121 1.00 51.31 H new ATOM 0 HA ASP A 62 -25.734 -17.973 -21.164 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -27.064 -15.876 -20.969 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -25.773 -14.993 -21.759 1.00 14.42 H new ATOM 993 N GLY A 63 -23.337 -18.211 -22.051 1.00 4.15 N ATOM 994 CA GLY A 63 -22.196 -18.444 -22.896 1.00 43.43 C ATOM 995 C GLY A 63 -21.488 -19.707 -22.483 1.00 33.13 C ATOM 996 O GLY A 63 -22.055 -20.524 -21.760 1.00 43.24 O ATOM 0 H GLY A 63 -23.536 -18.964 -21.392 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -22.515 -18.521 -23.936 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -21.511 -17.598 -22.835 1.00 43.43 H new ATOM 1000 N LEU A 64 -20.257 -19.860 -22.915 1.00 51.34 N ATOM 1001 CA LEU A 64 -19.478 -21.044 -22.587 1.00 3.45 C ATOM 1002 C LEU A 64 -18.576 -20.765 -21.395 1.00 42.35 C ATOM 1003 O LEU A 64 -17.670 -19.934 -21.467 1.00 0.34 O ATOM 1004 CB LEU A 64 -18.646 -21.513 -23.786 1.00 54.54 C ATOM 1005 CG LEU A 64 -19.438 -22.149 -24.938 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -20.350 -23.254 -24.423 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -20.241 -21.108 -25.706 1.00 63.23 C ATOM 0 H LEU A 64 -19.768 -19.180 -23.497 1.00 51.34 H new ATOM 0 HA LEU A 64 -20.172 -21.843 -22.328 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -18.093 -20.659 -24.178 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -17.910 -22.235 -23.434 1.00 54.54 H new ATOM 0 HG LEU A 64 -18.717 -22.588 -25.627 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -20.901 -23.689 -25.257 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -19.750 -24.026 -23.942 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -21.053 -22.839 -23.701 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -20.789 -21.594 -26.514 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -20.945 -20.621 -25.031 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -19.565 -20.362 -26.124 1.00 63.23 H new ATOM 1019 N ASN A 65 -18.838 -21.452 -20.298 1.00 64.21 N ATOM 1020 CA ASN A 65 -18.078 -21.244 -19.076 1.00 60.20 C ATOM 1021 C ASN A 65 -16.918 -22.230 -19.013 1.00 64.31 C ATOM 1022 O ASN A 65 -17.128 -23.444 -18.945 1.00 34.35 O ATOM 1023 CB ASN A 65 -18.981 -21.411 -17.848 1.00 11.43 C ATOM 1024 CG ASN A 65 -18.378 -20.810 -16.587 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -17.163 -20.675 -16.459 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -19.229 -20.445 -15.641 1.00 54.41 N ATOM 0 H ASN A 65 -19.570 -22.158 -20.227 1.00 64.21 H new ATOM 0 HA ASN A 65 -17.682 -20.228 -19.078 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -19.944 -20.941 -18.044 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -19.172 -22.472 -17.684 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -18.882 -20.037 -14.773 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -20.231 -20.571 -15.780 1.00 54.41 H new ATOM 1033 N ILE A 66 -15.703 -21.702 -19.062 1.00 12.30 N ATOM 1034 CA ILE A 66 -14.502 -22.517 -18.943 1.00 41.44 C ATOM 1035 C ILE A 66 -14.462 -23.175 -17.568 1.00 2.50 C ATOM 1036 O ILE A 66 -14.804 -22.548 -16.567 1.00 31.11 O ATOM 1037 CB ILE A 66 -13.231 -21.661 -19.135 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -13.315 -20.852 -20.436 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -11.986 -22.537 -19.135 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -13.418 -21.701 -21.688 1.00 65.41 C ATOM 0 H ILE A 66 -15.522 -20.706 -19.184 1.00 12.30 H new ATOM 0 HA ILE A 66 -14.529 -23.280 -19.721 1.00 41.44 H new ATOM 0 HB ILE A 66 -13.162 -20.965 -18.299 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -14.181 -20.192 -20.385 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -12.433 -20.216 -20.513 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -11.102 -21.914 -19.272 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -11.913 -23.066 -18.185 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -12.050 -23.260 -19.949 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -13.473 -21.054 -22.563 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -12.540 -22.342 -21.766 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -14.315 -22.318 -21.636 1.00 65.41 H new ATOM 1052 N HIS A 67 -14.063 -24.436 -17.518 1.00 15.31 N ATOM 1053 CA HIS A 67 -14.004 -25.159 -16.254 1.00 41.12 C ATOM 1054 C HIS A 67 -12.844 -24.656 -15.401 1.00 13.15 C ATOM 1055 O HIS A 67 -11.746 -25.216 -15.426 1.00 11.25 O ATOM 1056 CB HIS A 67 -13.879 -26.668 -16.484 1.00 61.24 C ATOM 1057 CG HIS A 67 -15.097 -27.294 -17.099 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -15.283 -28.657 -17.175 1.00 61.32 N ATOM 1059 CD2 HIS A 67 -16.193 -26.736 -17.672 1.00 73.33 C ATOM 1060 CE1 HIS A 67 -16.436 -28.910 -17.765 1.00 43.30 C ATOM 1061 NE2 HIS A 67 -17.009 -27.762 -18.076 1.00 5.34 N ATOM 0 H HIS A 67 -13.776 -24.979 -18.332 1.00 15.31 H new ATOM 0 HA HIS A 67 -14.937 -24.974 -15.721 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -13.021 -26.857 -17.129 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -13.675 -27.155 -15.530 1.00 61.24 H new ATOM 0 HD2 HIS A 67 -16.387 -25.680 -17.788 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -16.843 -29.891 -17.961 1.00 43.30 H new ATOM 0 HE2 HIS A 67 -17.911 -27.655 -18.541 1.00 5.34 H new ATOM 1070 N ALA A 68 -13.104 -23.579 -14.673 1.00 1.04 N ATOM 1071 CA ALA A 68 -12.125 -22.962 -13.790 1.00 21.21 C ATOM 1072 C ALA A 68 -12.851 -22.131 -12.736 1.00 64.03 C ATOM 1073 O ALA A 68 -14.083 -22.148 -12.673 1.00 11.40 O ATOM 1074 CB ALA A 68 -11.155 -22.099 -14.587 1.00 11.23 C ATOM 0 H ALA A 68 -14.007 -23.105 -14.679 1.00 1.04 H new ATOM 0 HA ALA A 68 -11.546 -23.740 -13.293 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -10.431 -21.646 -13.910 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -10.632 -22.718 -15.317 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -11.707 -21.315 -15.105 1.00 11.23 H new ATOM 1080 N ILE A 69 -12.108 -21.392 -11.928 1.00 52.42 N ATOM 1081 CA ILE A 69 -12.709 -20.658 -10.825 1.00 0.05 C ATOM 1082 C ILE A 69 -13.016 -19.211 -11.220 1.00 34.51 C ATOM 1083 O ILE A 69 -12.276 -18.284 -10.881 1.00 0.24 O ATOM 1084 CB ILE A 69 -11.810 -20.677 -9.567 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -11.397 -22.114 -9.222 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -12.527 -20.039 -8.383 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -12.560 -23.030 -8.892 1.00 43.35 C ATOM 0 H ILE A 69 -11.097 -21.284 -12.013 1.00 52.42 H new ATOM 0 HA ILE A 69 -13.645 -21.163 -10.586 1.00 0.05 H new ATOM 0 HB ILE A 69 -10.913 -20.097 -9.783 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -10.845 -22.534 -10.063 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -10.714 -22.091 -8.372 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -11.877 -20.063 -7.508 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -12.776 -19.005 -8.622 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -13.442 -20.592 -8.170 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -12.184 -24.026 -8.660 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -13.100 -22.636 -8.031 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -13.233 -23.087 -9.748 1.00 43.35 H new ATOM 1099 N GLN A 70 -14.095 -19.028 -11.973 1.00 62.22 N ATOM 1100 CA GLN A 70 -14.585 -17.690 -12.298 1.00 45.13 C ATOM 1101 C GLN A 70 -15.653 -17.283 -11.298 1.00 54.23 C ATOM 1102 O GLN A 70 -15.656 -16.171 -10.773 1.00 20.23 O ATOM 1103 CB GLN A 70 -15.191 -17.629 -13.709 1.00 3.32 C ATOM 1104 CG GLN A 70 -14.191 -17.704 -14.854 1.00 45.50 C ATOM 1105 CD GLN A 70 -13.542 -19.062 -14.985 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -12.470 -19.306 -14.443 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -14.208 -19.964 -15.685 1.00 43.43 N ATOM 0 H GLN A 70 -14.648 -19.787 -12.370 1.00 62.22 H new ATOM 0 HA GLN A 70 -13.733 -17.011 -12.256 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -15.902 -18.448 -13.816 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -15.756 -16.702 -13.803 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -14.697 -17.458 -15.787 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -13.417 -16.951 -14.703 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -15.097 -19.718 -16.119 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -13.833 -20.907 -15.791 1.00 43.43 H new ATOM 1116 N ILE A 71 -16.554 -18.215 -11.034 1.00 33.52 N ATOM 1117 CA ILE A 71 -17.700 -17.976 -10.178 1.00 32.34 C ATOM 1118 C ILE A 71 -17.600 -18.827 -8.915 1.00 21.45 C ATOM 1119 O ILE A 71 -17.417 -20.043 -8.986 1.00 21.34 O ATOM 1120 CB ILE A 71 -19.019 -18.300 -10.932 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -20.237 -18.195 -10.007 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -18.947 -19.680 -11.570 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -20.719 -16.776 -9.792 1.00 61.50 C ATOM 0 H ILE A 71 -16.509 -19.162 -11.410 1.00 33.52 H new ATOM 0 HA ILE A 71 -17.708 -16.923 -9.897 1.00 32.34 H new ATOM 0 HB ILE A 71 -19.139 -17.558 -11.721 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -21.052 -18.786 -10.425 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -19.987 -18.635 -9.041 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -19.880 -19.888 -12.093 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -18.119 -19.711 -12.278 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -18.790 -20.431 -10.796 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -21.583 -16.782 -9.127 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -19.921 -16.184 -9.344 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -21.001 -16.339 -10.750 1.00 61.50 H new ATOM 1135 N GLN A 72 -17.690 -18.183 -7.765 1.00 4.42 N ATOM 1136 CA GLN A 72 -17.668 -18.891 -6.495 1.00 11.31 C ATOM 1137 C GLN A 72 -18.864 -18.506 -5.647 1.00 41.51 C ATOM 1138 O GLN A 72 -19.058 -17.339 -5.322 1.00 30.42 O ATOM 1139 CB GLN A 72 -16.379 -18.603 -5.720 1.00 73.05 C ATOM 1140 CG GLN A 72 -15.222 -19.518 -6.087 1.00 75.12 C ATOM 1141 CD GLN A 72 -15.518 -20.978 -5.793 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -15.999 -21.716 -6.650 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -15.254 -21.400 -4.568 1.00 23.21 N ATOM 0 H GLN A 72 -17.779 -17.170 -7.683 1.00 4.42 H new ATOM 0 HA GLN A 72 -17.711 -19.958 -6.716 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -16.083 -17.569 -5.899 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -16.580 -18.697 -4.653 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -14.995 -19.403 -7.147 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -14.333 -19.213 -5.535 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -14.855 -20.759 -3.883 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -15.450 -22.367 -4.308 1.00 23.21 H new ATOM 1152 N THR A 73 -19.674 -19.484 -5.303 1.00 51.10 N ATOM 1153 CA THR A 73 -20.799 -19.252 -4.425 1.00 71.51 C ATOM 1154 C THR A 73 -20.611 -20.035 -3.133 1.00 31.34 C ATOM 1155 O THR A 73 -20.488 -21.260 -3.152 1.00 0.24 O ATOM 1156 CB THR A 73 -22.116 -19.657 -5.103 1.00 1.24 C ATOM 1157 OG1 THR A 73 -22.159 -19.116 -6.429 1.00 14.45 O ATOM 1158 CG2 THR A 73 -23.306 -19.147 -4.311 1.00 60.22 C ATOM 0 H THR A 73 -19.574 -20.449 -5.619 1.00 51.10 H new ATOM 0 HA THR A 73 -20.849 -18.187 -4.198 1.00 71.51 H new ATOM 0 HB THR A 73 -22.164 -20.745 -5.145 1.00 1.24 H new ATOM 0 HG1 THR A 73 -22.999 -19.376 -6.861 1.00 14.45 H new ATOM 0 HG21 THR A 73 -24.229 -19.445 -4.809 1.00 60.22 H new ATOM 0 HG22 THR A 73 -23.283 -19.570 -3.307 1.00 60.22 H new ATOM 0 HG23 THR A 73 -23.262 -18.060 -4.248 1.00 60.22 H new ATOM 1166 N GLY A 74 -20.565 -19.324 -2.017 1.00 12.20 N ATOM 1167 CA GLY A 74 -20.313 -19.964 -0.743 1.00 10.41 C ATOM 1168 C GLY A 74 -19.004 -19.504 -0.136 1.00 15.25 C ATOM 1169 O GLY A 74 -18.243 -18.771 -0.773 1.00 44.31 O ATOM 0 H GLY A 74 -20.698 -18.314 -1.971 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -21.130 -19.743 -0.056 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -20.292 -21.046 -0.877 1.00 10.41 H new ATOM 1173 N CYS A 75 -18.737 -19.928 1.087 1.00 41.31 N ATOM 1174 CA CYS A 75 -17.533 -19.512 1.789 1.00 31.41 C ATOM 1175 C CYS A 75 -16.822 -20.709 2.406 1.00 22.14 C ATOM 1176 O CYS A 75 -17.398 -21.795 2.514 1.00 42.21 O ATOM 1177 CB CYS A 75 -17.891 -18.491 2.873 1.00 54.21 C ATOM 1178 SG CYS A 75 -19.228 -19.024 3.970 1.00 1.04 S ATOM 0 H CYS A 75 -19.338 -20.561 1.616 1.00 41.31 H new ATOM 0 HA CYS A 75 -16.855 -19.050 1.071 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -17.004 -18.285 3.471 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -18.178 -17.554 2.395 1.00 54.21 H new ATOM 0 HG CYS A 75 -19.459 -18.099 4.854 1.00 1.04 H new ATOM 1184 N LYS A 76 -15.570 -20.515 2.791 1.00 72.44 N ATOM 1185 CA LYS A 76 -14.796 -21.564 3.433 1.00 24.13 C ATOM 1186 C LYS A 76 -14.808 -21.375 4.943 1.00 65.44 C ATOM 1187 O LYS A 76 -15.537 -22.116 5.632 1.00 51.21 O ATOM 1188 CB LYS A 76 -13.352 -21.572 2.925 1.00 54.32 C ATOM 1189 CG LYS A 76 -13.225 -21.781 1.425 1.00 62.33 C ATOM 1190 CD LYS A 76 -11.774 -21.969 1.011 1.00 31.01 C ATOM 1191 CE LYS A 76 -11.187 -23.246 1.599 1.00 51.33 C ATOM 1192 NZ LYS A 76 -9.761 -23.435 1.223 1.00 72.41 N ATOM 1193 OXT LYS A 76 -14.105 -20.468 5.433 1.00 0.00 O ATOM 0 H LYS A 76 -15.067 -19.636 2.669 1.00 72.44 H new ATOM 0 HA LYS A 76 -15.254 -22.521 3.184 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -12.879 -20.627 3.191 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -12.801 -22.360 3.439 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -13.806 -22.654 1.128 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -13.646 -20.924 0.900 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -11.706 -22.003 -0.076 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -11.187 -21.112 1.340 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -11.274 -23.217 2.685 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -11.768 -24.102 1.256 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -9.404 -24.316 1.645 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -9.679 -23.490 0.188 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -9.200 -22.632 1.573 1.00 72.41 H new TER 1207 LYS A 76