USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 987 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 70 TYR OH : rot -54:sc= -0.291 USER MOD Set 1.2: A 124 ASN : amide:sc= -0.453 X(o=-0.74,f=-1.1) USER MOD Set 2.1: A 25 GLN : amide:sc= -0.0765 K(o=-0.28,f=-1.8) USER MOD Set 2.2: A 80 ASN : amide:sc= -0.201 K(o=-0.28,f=-3.2!) USER MOD Set 3.1: A 75 LYS NZ :NH3+ -165:sc= 0.832 (180deg=-0.392) USER MOD Set 3.2: A 77 TYR OH : rot -104:sc= 0.981 USER MOD Set 4.1: A 22 MET CE :methyl -157:sc= -0.162 (180deg=-0.729) USER MOD Set 4.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 62 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.54) USER MOD Set 6.1: A 38 CYS SG : rot -95:sc= -5.35! USER MOD Set 6.2: A 104 ASN : amide:sc= -0.28 X(o=-5.6,f=-5.5) USER MOD Set 7.1: A 11 THR OG1 : rot 180:sc= -0.0983 USER MOD Set 7.2: A 85 GLN : amide:sc= -1.62! C(o=-1.7!,f=-4.3!) USER MOD Single : A 1 MET CE :methyl 170:sc= -0.0158 (180deg=-0.193) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= 0.5 K(o=0.5,f=-2.3!) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 6 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=-0.095) USER MOD Single : A 7 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.21) USER MOD Single : A 8 HIS : no HD1:sc= 0.532 K(o=0.53,f=-2.8!) USER MOD Single : A 9 MET CE :methyl 156:sc= -0.199 (180deg=-0.802) USER MOD Single : A 15 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.4) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.253 USER MOD Single : A 17 GLN : amide:sc= 0.278 X(o=0.28,f=0) USER MOD Single : A 21 SER OG : rot -126:sc= 0.541 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.05 K(o=-1,f=-0.0079) USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= 1.88 (180deg=0.506) USER MOD Single : A 36 THR OG1 : rot -92:sc= 1.25 USER MOD Single : A 37 SER OG : rot -21:sc= 0.297 USER MOD Single : A 39 ASN : amide:sc= -0.028 X(o=-0.028,f=-0.41) USER MOD Single : A 41 ASN : amide:sc= -0.982 X(o=-0.98,f=-1.1) USER MOD Single : A 65 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.207) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.393 K(o=-0.39,f=-2.2) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 78 LYS NZ :NH3+ -156:sc= 2.25 (180deg=0.84) USER MOD Single : A 84 ASN : amide:sc= -3.29! C(o=-3.3!,f=-6!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.444 K(o=-0.44,f=-3.8!) USER MOD Single : A 91 TYR OH : rot -130:sc= 0.681 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 109:sc= 1.26 USER MOD Single : A 101 MET CE :methyl 133:sc= -0.537 (180deg=-1.86) USER MOD Single : A 103 LYS NZ :NH3+ 179:sc= 1.52 (180deg=1.51) USER MOD Single : A 106 LYS NZ :NH3+ 170:sc= -0.0104 (180deg=-0.109) USER MOD Single : A 107 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0187) USER MOD Single : A 109 SER OG : rot 152:sc= 0.144 USER MOD Single : A 110 GLN : amide:sc= -0.787 X(o=-0.79,f=-0.65) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 127:sc= 1.28 (180deg=0.417) USER MOD Single : A 121 SER OG : rot 77:sc= 1.18 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 126 ASN : amide:sc= -1.09! C(o=-1.1!,f=-2.4!) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.792 24.498 10.977 1.00 3.02 N ATOM 2 CA MET A 1 -19.880 23.389 11.340 1.00 43.52 C ATOM 3 C MET A 1 -20.623 22.061 11.319 1.00 12.24 C ATOM 4 O MET A 1 -21.382 21.743 12.238 1.00 63.42 O ATOM 5 CB MET A 1 -19.255 23.631 12.725 1.00 23.23 C ATOM 6 CG MET A 1 -18.467 22.440 13.267 1.00 61.21 C ATOM 7 SD MET A 1 -17.217 21.838 12.112 1.00 60.21 S ATOM 8 CE MET A 1 -16.150 23.273 11.967 1.00 5.31 C ATOM 0 H1 MET A 1 -20.270 25.397 10.996 1.00 3.02 H new ATOM 0 H2 MET A 1 -21.171 24.338 10.022 1.00 3.02 H new ATOM 0 H3 MET A 1 -21.577 24.539 11.658 1.00 3.02 H new ATOM 0 HA MET A 1 -19.078 23.351 10.603 1.00 43.52 H new ATOM 0 HB2 MET A 1 -18.594 24.496 12.668 1.00 23.23 H new ATOM 0 HB3 MET A 1 -20.047 23.881 13.431 1.00 23.23 H new ATOM 0 HG2 MET A 1 -17.983 22.726 14.201 1.00 61.21 H new ATOM 0 HG3 MET A 1 -19.158 21.630 13.501 1.00 61.21 H new ATOM 0 HE1 MET A 1 -15.242 22.998 11.431 1.00 5.31 H new ATOM 0 HE2 MET A 1 -16.670 24.060 11.421 1.00 5.31 H new ATOM 0 HE3 MET A 1 -15.889 23.634 12.962 1.00 5.31 H new ATOM 20 N ALA A 2 -20.410 21.292 10.260 1.00 51.20 N ATOM 21 CA ALA A 2 -21.061 20.001 10.102 1.00 61.23 C ATOM 22 C ALA A 2 -20.097 18.869 10.431 1.00 22.03 C ATOM 23 O ALA A 2 -18.932 18.889 10.024 1.00 42.12 O ATOM 24 CB ALA A 2 -21.597 19.852 8.683 1.00 1.30 C ATOM 0 H ALA A 2 -19.786 21.543 9.493 1.00 51.20 H new ATOM 0 HA ALA A 2 -21.898 19.948 10.798 1.00 61.23 H new ATOM 0 HB1 ALA A 2 -22.082 18.882 8.577 1.00 1.30 H new ATOM 0 HB2 ALA A 2 -22.320 20.643 8.482 1.00 1.30 H new ATOM 0 HB3 ALA A 2 -20.773 19.925 7.973 1.00 1.30 H new ATOM 30 N HIS A 3 -20.592 17.899 11.183 1.00 41.24 N ATOM 31 CA HIS A 3 -19.841 16.695 11.508 1.00 31.41 C ATOM 32 C HIS A 3 -20.830 15.592 11.841 1.00 42.50 C ATOM 33 O HIS A 3 -21.894 15.859 12.404 1.00 23.22 O ATOM 34 CB HIS A 3 -18.889 16.921 12.697 1.00 5.32 C ATOM 35 CG HIS A 3 -19.578 16.973 14.030 1.00 35.03 C ATOM 36 ND1 HIS A 3 -19.828 15.846 14.789 1.00 1.44 N ATOM 37 CD2 HIS A 3 -20.074 18.016 14.738 1.00 14.11 C ATOM 38 CE1 HIS A 3 -20.445 16.195 15.901 1.00 74.13 C ATOM 39 NE2 HIS A 3 -20.606 17.503 15.895 1.00 71.12 N ATOM 0 H HIS A 3 -21.528 17.924 11.587 1.00 41.24 H new ATOM 0 HA HIS A 3 -19.228 16.419 10.650 1.00 31.41 H new ATOM 0 HB2 HIS A 3 -18.148 16.121 12.713 1.00 5.32 H new ATOM 0 HB3 HIS A 3 -18.347 17.854 12.543 1.00 5.32 H new ATOM 0 HD1 HIS A 3 -19.575 14.893 14.530 1.00 1.44 H new ATOM 0 HD2 HIS A 3 -20.055 19.056 14.447 1.00 14.11 H new ATOM 0 HE1 HIS A 3 -20.764 15.523 16.684 1.00 74.13 H new ATOM 48 N HIS A 4 -20.488 14.365 11.493 1.00 24.13 N ATOM 49 CA HIS A 4 -21.357 13.232 11.768 1.00 70.53 C ATOM 50 C HIS A 4 -21.141 12.740 13.197 1.00 41.11 C ATOM 51 O HIS A 4 -20.167 13.120 13.853 1.00 32.31 O ATOM 52 CB HIS A 4 -21.104 12.095 10.765 1.00 35.25 C ATOM 53 CG HIS A 4 -21.389 12.469 9.341 1.00 32.43 C ATOM 54 ND1 HIS A 4 -22.567 12.155 8.699 1.00 63.21 N ATOM 55 CD2 HIS A 4 -20.639 13.141 8.431 1.00 20.52 C ATOM 56 CE1 HIS A 4 -22.531 12.613 7.464 1.00 24.52 C ATOM 57 NE2 HIS A 4 -21.376 13.217 7.275 1.00 63.35 N ATOM 0 H HIS A 4 -19.616 14.126 11.020 1.00 24.13 H new ATOM 0 HA HIS A 4 -22.392 13.556 11.660 1.00 70.53 H new ATOM 0 HB2 HIS A 4 -20.065 11.776 10.846 1.00 35.25 H new ATOM 0 HB3 HIS A 4 -21.722 11.239 11.037 1.00 35.25 H new ATOM 0 HD2 HIS A 4 -19.648 13.541 8.587 1.00 20.52 H new ATOM 0 HE1 HIS A 4 -23.317 12.510 6.730 1.00 24.52 H new ATOM 0 HE2 HIS A 4 -21.077 13.668 6.410 1.00 63.35 H new ATOM 66 N HIS A 5 -22.073 11.930 13.684 1.00 2.14 N ATOM 67 CA HIS A 5 -21.928 11.253 14.975 1.00 34.13 C ATOM 68 C HIS A 5 -22.031 9.752 14.740 1.00 74.02 C ATOM 69 O HIS A 5 -22.542 8.991 15.566 1.00 33.24 O ATOM 70 CB HIS A 5 -22.981 11.738 15.988 1.00 10.34 C ATOM 71 CG HIS A 5 -24.407 11.510 15.575 1.00 32.55 C ATOM 72 ND1 HIS A 5 -25.137 10.409 15.964 1.00 12.44 N ATOM 73 CD2 HIS A 5 -25.245 12.267 14.828 1.00 40.55 C ATOM 74 CE1 HIS A 5 -26.359 10.497 15.476 1.00 72.20 C ATOM 75 NE2 HIS A 5 -26.452 11.617 14.783 1.00 41.00 N ATOM 0 H HIS A 5 -22.947 11.722 13.202 1.00 2.14 H new ATOM 0 HA HIS A 5 -20.956 11.491 15.407 1.00 34.13 H new ATOM 0 HB2 HIS A 5 -22.808 11.234 16.939 1.00 10.34 H new ATOM 0 HB3 HIS A 5 -22.834 12.804 16.161 1.00 10.34 H new ATOM 0 HD2 HIS A 5 -25.007 13.208 14.355 1.00 40.55 H new ATOM 0 HE1 HIS A 5 -27.150 9.775 15.619 1.00 72.20 H new ATOM 0 HE2 HIS A 5 -27.285 11.945 14.294 1.00 41.00 H new ATOM 84 N HIS A 6 -21.505 9.351 13.591 1.00 65.23 N ATOM 85 CA HIS A 6 -21.531 7.970 13.137 1.00 15.33 C ATOM 86 C HIS A 6 -20.169 7.322 13.377 1.00 61.03 C ATOM 87 O HIS A 6 -19.264 7.418 12.543 1.00 63.43 O ATOM 88 CB HIS A 6 -21.902 7.932 11.644 1.00 42.34 C ATOM 89 CG HIS A 6 -21.707 6.597 10.981 1.00 14.21 C ATOM 90 ND1 HIS A 6 -20.677 6.346 10.103 1.00 64.53 N ATOM 91 CD2 HIS A 6 -22.422 5.449 11.053 1.00 32.33 C ATOM 92 CE1 HIS A 6 -20.767 5.107 9.665 1.00 73.33 C ATOM 93 NE2 HIS A 6 -21.817 4.536 10.224 1.00 61.11 N ATOM 0 H HIS A 6 -21.042 9.985 12.940 1.00 65.23 H new ATOM 0 HA HIS A 6 -22.279 7.409 13.697 1.00 15.33 H new ATOM 0 HB2 HIS A 6 -22.946 8.227 11.536 1.00 42.34 H new ATOM 0 HB3 HIS A 6 -21.304 8.675 11.116 1.00 42.34 H new ATOM 0 HD2 HIS A 6 -23.305 5.282 11.652 1.00 32.33 H new ATOM 0 HE1 HIS A 6 -20.093 4.636 8.964 1.00 73.33 H new ATOM 0 HE2 HIS A 6 -22.127 3.577 10.067 1.00 61.11 H new ATOM 102 N HIS A 7 -20.020 6.694 14.538 1.00 65.55 N ATOM 103 CA HIS A 7 -18.769 6.031 14.894 1.00 4.54 C ATOM 104 C HIS A 7 -18.637 4.717 14.122 1.00 53.55 C ATOM 105 O HIS A 7 -19.388 3.768 14.345 1.00 43.03 O ATOM 106 CB HIS A 7 -18.664 5.815 16.419 1.00 43.02 C ATOM 107 CG HIS A 7 -19.870 5.191 17.065 1.00 32.52 C ATOM 108 ND1 HIS A 7 -20.821 5.927 17.739 1.00 43.21 N ATOM 109 CD2 HIS A 7 -20.254 3.897 17.177 1.00 71.31 C ATOM 110 CE1 HIS A 7 -21.733 5.113 18.237 1.00 45.22 C ATOM 111 NE2 HIS A 7 -21.413 3.874 17.913 1.00 31.32 N ATOM 0 H HIS A 7 -20.749 6.630 15.249 1.00 65.55 H new ATOM 0 HA HIS A 7 -17.937 6.676 14.611 1.00 4.54 H new ATOM 0 HB2 HIS A 7 -17.798 5.185 16.621 1.00 43.02 H new ATOM 0 HB3 HIS A 7 -18.476 6.778 16.893 1.00 43.02 H new ATOM 0 HD2 HIS A 7 -19.742 3.040 16.763 1.00 71.31 H new ATOM 0 HE1 HIS A 7 -22.597 5.411 18.813 1.00 45.22 H new ATOM 0 HE2 HIS A 7 -21.939 3.038 18.167 1.00 31.32 H new ATOM 120 N HIS A 8 -17.684 4.690 13.200 1.00 34.21 N ATOM 121 CA HIS A 8 -17.511 3.573 12.276 1.00 51.21 C ATOM 122 C HIS A 8 -16.492 2.578 12.834 1.00 71.10 C ATOM 123 O HIS A 8 -15.304 2.887 12.933 1.00 73.10 O ATOM 124 CB HIS A 8 -17.054 4.115 10.911 1.00 13.35 C ATOM 125 CG HIS A 8 -16.997 3.093 9.815 1.00 43.31 C ATOM 126 ND1 HIS A 8 -18.123 2.619 9.174 1.00 4.12 N ATOM 127 CD2 HIS A 8 -15.946 2.484 9.219 1.00 0.35 C ATOM 128 CE1 HIS A 8 -17.765 1.767 8.235 1.00 63.12 C ATOM 129 NE2 HIS A 8 -16.453 1.669 8.242 1.00 33.11 N ATOM 0 H HIS A 8 -17.007 5.442 13.070 1.00 34.21 H new ATOM 0 HA HIS A 8 -18.459 3.049 12.152 1.00 51.21 H new ATOM 0 HB2 HIS A 8 -17.731 4.914 10.608 1.00 13.35 H new ATOM 0 HB3 HIS A 8 -16.066 4.560 11.025 1.00 13.35 H new ATOM 0 HD2 HIS A 8 -14.903 2.616 9.467 1.00 0.35 H new ATOM 0 HE1 HIS A 8 -18.435 1.239 7.572 1.00 63.12 H new ATOM 0 HE2 HIS A 8 -15.901 1.080 7.619 1.00 33.11 H new ATOM 138 N MET A 9 -16.961 1.388 13.203 1.00 71.35 N ATOM 139 CA MET A 9 -16.102 0.371 13.812 1.00 23.24 C ATOM 140 C MET A 9 -16.382 -1.008 13.218 1.00 54.50 C ATOM 141 O MET A 9 -17.451 -1.250 12.651 1.00 54.14 O ATOM 142 CB MET A 9 -16.294 0.349 15.341 1.00 11.52 C ATOM 143 CG MET A 9 -17.719 0.038 15.801 1.00 72.35 C ATOM 144 SD MET A 9 -18.199 -1.685 15.538 1.00 21.22 S ATOM 145 CE MET A 9 -17.018 -2.536 16.588 1.00 52.45 C ATOM 0 H MET A 9 -17.934 1.102 13.091 1.00 71.35 H new ATOM 0 HA MET A 9 -15.065 0.629 13.595 1.00 23.24 H new ATOM 0 HB2 MET A 9 -15.619 -0.393 15.768 1.00 11.52 H new ATOM 0 HB3 MET A 9 -16.000 1.318 15.745 1.00 11.52 H new ATOM 0 HG2 MET A 9 -17.810 0.275 16.861 1.00 72.35 H new ATOM 0 HG3 MET A 9 -18.414 0.686 15.268 1.00 72.35 H new ATOM 0 HE1 MET A 9 -17.420 -3.508 16.875 1.00 52.45 H new ATOM 0 HE2 MET A 9 -16.083 -2.676 16.045 1.00 52.45 H new ATOM 0 HE3 MET A 9 -16.832 -1.942 17.483 1.00 52.45 H new ATOM 155 N GLY A 10 -15.408 -1.900 13.347 1.00 40.24 N ATOM 156 CA GLY A 10 -15.537 -3.251 12.834 1.00 0.21 C ATOM 157 C GLY A 10 -14.224 -4.000 12.939 1.00 53.22 C ATOM 158 O GLY A 10 -13.241 -3.616 12.305 1.00 62.40 O ATOM 0 H GLY A 10 -14.517 -1.707 13.805 1.00 40.24 H new ATOM 0 HA2 GLY A 10 -16.309 -3.783 13.391 1.00 0.21 H new ATOM 0 HA3 GLY A 10 -15.859 -3.219 11.793 1.00 0.21 H new ATOM 162 N THR A 11 -14.201 -5.063 13.738 1.00 63.22 N ATOM 163 CA THR A 11 -12.975 -5.819 13.986 1.00 14.12 C ATOM 164 C THR A 11 -13.172 -7.298 13.655 1.00 14.21 C ATOM 165 O THR A 11 -14.304 -7.788 13.595 1.00 71.11 O ATOM 166 CB THR A 11 -12.514 -5.677 15.462 1.00 73.41 C ATOM 167 OG1 THR A 11 -11.282 -6.385 15.668 1.00 71.45 O ATOM 168 CG2 THR A 11 -13.573 -6.200 16.431 1.00 43.21 C ATOM 0 H THR A 11 -15.021 -5.422 14.227 1.00 63.22 H new ATOM 0 HA THR A 11 -12.203 -5.406 13.337 1.00 14.12 H new ATOM 0 HB THR A 11 -12.363 -4.616 15.660 1.00 73.41 H new ATOM 0 HG1 THR A 11 -11.000 -6.287 16.602 1.00 71.45 H new ATOM 0 HG21 THR A 11 -13.218 -6.085 17.455 1.00 43.21 H new ATOM 0 HG22 THR A 11 -14.496 -5.634 16.302 1.00 43.21 H new ATOM 0 HG23 THR A 11 -13.762 -7.254 16.229 1.00 43.21 H new ATOM 176 N LEU A 12 -12.060 -8.000 13.437 1.00 61.42 N ATOM 177 CA LEU A 12 -12.071 -9.431 13.131 1.00 2.22 C ATOM 178 C LEU A 12 -11.069 -10.163 14.025 1.00 4.22 C ATOM 179 O LEU A 12 -11.456 -10.943 14.898 1.00 1.34 O ATOM 180 CB LEU A 12 -11.735 -9.672 11.647 1.00 4.31 C ATOM 181 CG LEU A 12 -12.735 -9.076 10.638 1.00 34.13 C ATOM 182 CD1 LEU A 12 -12.256 -9.291 9.205 1.00 64.53 C ATOM 183 CD2 LEU A 12 -14.124 -9.680 10.833 1.00 51.53 C ATOM 0 H LEU A 12 -11.125 -7.593 13.468 1.00 61.42 H new ATOM 0 HA LEU A 12 -13.071 -9.820 13.324 1.00 2.22 H new ATOM 0 HB2 LEU A 12 -10.748 -9.256 11.443 1.00 4.31 H new ATOM 0 HB3 LEU A 12 -11.670 -10.747 11.477 1.00 4.31 H new ATOM 0 HG LEU A 12 -12.797 -8.003 10.820 1.00 34.13 H new ATOM 0 HD11 LEU A 12 -12.979 -8.862 8.511 1.00 64.53 H new ATOM 0 HD12 LEU A 12 -11.289 -8.806 9.068 1.00 64.53 H new ATOM 0 HD13 LEU A 12 -12.157 -10.359 9.011 1.00 64.53 H new ATOM 0 HD21 LEU A 12 -14.815 -9.245 10.110 1.00 51.53 H new ATOM 0 HD22 LEU A 12 -14.076 -10.759 10.685 1.00 51.53 H new ATOM 0 HD23 LEU A 12 -14.475 -9.468 11.843 1.00 51.53 H new ATOM 195 N GLU A 13 -9.781 -9.891 13.813 1.00 71.11 N ATOM 196 CA GLU A 13 -8.708 -10.490 14.610 1.00 12.03 C ATOM 197 C GLU A 13 -7.901 -9.392 15.307 1.00 21.23 C ATOM 198 O GLU A 13 -7.868 -8.252 14.846 1.00 63.31 O ATOM 199 CB GLU A 13 -7.795 -11.336 13.702 1.00 62.30 C ATOM 200 CG GLU A 13 -6.603 -11.981 14.412 1.00 0.33 C ATOM 201 CD GLU A 13 -7.012 -12.981 15.486 1.00 63.35 C ATOM 202 OE1 GLU A 13 -7.259 -14.157 15.151 1.00 42.23 O ATOM 203 OE2 GLU A 13 -7.077 -12.596 16.675 1.00 14.31 O ATOM 0 H GLU A 13 -9.452 -9.253 13.088 1.00 71.11 H new ATOM 0 HA GLU A 13 -9.143 -11.138 15.371 1.00 12.03 H new ATOM 0 HB2 GLU A 13 -8.393 -12.121 13.240 1.00 62.30 H new ATOM 0 HB3 GLU A 13 -7.421 -10.704 12.896 1.00 62.30 H new ATOM 0 HG2 GLU A 13 -5.979 -12.485 13.674 1.00 0.33 H new ATOM 0 HG3 GLU A 13 -5.993 -11.200 14.866 1.00 0.33 H new ATOM 210 N ALA A 14 -7.274 -9.733 16.428 1.00 4.13 N ATOM 211 CA ALA A 14 -6.428 -8.793 17.153 1.00 4.50 C ATOM 212 C ALA A 14 -5.089 -8.628 16.437 1.00 15.35 C ATOM 213 O ALA A 14 -4.428 -9.616 16.109 1.00 4.02 O ATOM 214 CB ALA A 14 -6.219 -9.260 18.592 1.00 14.41 C ATOM 0 H ALA A 14 -7.337 -10.657 16.855 1.00 4.13 H new ATOM 0 HA ALA A 14 -6.926 -7.824 17.181 1.00 4.50 H new ATOM 0 HB1 ALA A 14 -5.585 -8.546 19.118 1.00 14.41 H new ATOM 0 HB2 ALA A 14 -7.183 -9.329 19.096 1.00 14.41 H new ATOM 0 HB3 ALA A 14 -5.739 -10.239 18.591 1.00 14.41 H new ATOM 220 N GLN A 15 -4.697 -7.384 16.190 1.00 1.51 N ATOM 221 CA GLN A 15 -3.461 -7.087 15.467 1.00 42.41 C ATOM 222 C GLN A 15 -2.337 -6.736 16.438 1.00 71.42 C ATOM 223 O GLN A 15 -2.594 -6.337 17.575 1.00 42.22 O ATOM 224 CB GLN A 15 -3.696 -5.942 14.478 1.00 44.51 C ATOM 225 CG GLN A 15 -4.797 -6.237 13.463 1.00 33.04 C ATOM 226 CD GLN A 15 -5.008 -5.116 12.460 1.00 4.04 C ATOM 227 OE1 GLN A 15 -6.118 -4.895 11.983 1.00 64.25 O ATOM 228 NE2 GLN A 15 -3.943 -4.407 12.121 1.00 72.20 N ATOM 0 H GLN A 15 -5.220 -6.558 16.481 1.00 1.51 H new ATOM 0 HA GLN A 15 -3.160 -7.975 14.911 1.00 42.41 H new ATOM 0 HB2 GLN A 15 -3.955 -5.040 15.032 1.00 44.51 H new ATOM 0 HB3 GLN A 15 -2.767 -5.734 13.946 1.00 44.51 H new ATOM 0 HG2 GLN A 15 -4.550 -7.153 12.926 1.00 33.04 H new ATOM 0 HG3 GLN A 15 -5.731 -6.420 13.994 1.00 33.04 H new ATOM 0 HE21 GLN A 15 -3.036 -4.618 12.537 1.00 72.20 H new ATOM 0 HE22 GLN A 15 -4.029 -3.649 11.444 1.00 72.20 H new ATOM 237 N THR A 16 -1.097 -6.882 15.978 1.00 3.02 N ATOM 238 CA THR A 16 0.080 -6.662 16.812 1.00 43.15 C ATOM 239 C THR A 16 0.465 -5.178 16.878 1.00 1.02 C ATOM 240 O THR A 16 0.173 -4.496 17.864 1.00 53.23 O ATOM 241 CB THR A 16 1.275 -7.492 16.279 1.00 44.34 C ATOM 242 OG1 THR A 16 1.361 -7.335 14.854 1.00 61.24 O ATOM 243 CG2 THR A 16 1.125 -8.972 16.624 1.00 74.24 C ATOM 0 H THR A 16 -0.881 -7.155 15.019 1.00 3.02 H new ATOM 0 HA THR A 16 -0.169 -6.987 17.822 1.00 43.15 H new ATOM 0 HB THR A 16 2.186 -7.127 16.754 1.00 44.34 H new ATOM 0 HG1 THR A 16 2.117 -7.857 14.512 1.00 61.24 H new ATOM 0 HG21 THR A 16 1.980 -9.525 16.235 1.00 74.24 H new ATOM 0 HG22 THR A 16 1.078 -9.090 17.707 1.00 74.24 H new ATOM 0 HG23 THR A 16 0.209 -9.359 16.177 1.00 74.24 H new ATOM 251 N GLN A 17 1.111 -4.684 15.819 1.00 33.03 N ATOM 252 CA GLN A 17 1.629 -3.313 15.789 1.00 12.10 C ATOM 253 C GLN A 17 2.194 -2.987 14.409 1.00 42.15 C ATOM 254 O GLN A 17 2.125 -3.805 13.488 1.00 42.43 O ATOM 255 CB GLN A 17 2.739 -3.135 16.841 1.00 30.34 C ATOM 256 CG GLN A 17 3.929 -4.072 16.633 1.00 40.04 C ATOM 257 CD GLN A 17 5.076 -3.800 17.595 1.00 71.13 C ATOM 258 OE1 GLN A 17 5.124 -4.354 18.693 1.00 51.33 O ATOM 259 NE2 GLN A 17 6.010 -2.955 17.181 1.00 70.34 N ATOM 0 H GLN A 17 1.289 -5.216 14.967 1.00 33.03 H new ATOM 0 HA GLN A 17 0.805 -2.636 16.013 1.00 12.10 H new ATOM 0 HB2 GLN A 17 3.090 -2.103 16.817 1.00 30.34 H new ATOM 0 HB3 GLN A 17 2.320 -3.306 17.833 1.00 30.34 H new ATOM 0 HG2 GLN A 17 3.598 -5.103 16.754 1.00 40.04 H new ATOM 0 HG3 GLN A 17 4.289 -3.971 15.609 1.00 40.04 H new ATOM 0 HE21 GLN A 17 5.931 -2.518 16.263 1.00 70.34 H new ATOM 0 HE22 GLN A 17 6.807 -2.742 17.781 1.00 70.34 H new ATOM 268 N GLY A 18 2.741 -1.784 14.276 1.00 4.43 N ATOM 269 CA GLY A 18 3.473 -1.418 13.078 1.00 62.43 C ATOM 270 C GLY A 18 4.971 -1.569 13.280 1.00 10.31 C ATOM 271 O GLY A 18 5.435 -1.614 14.422 1.00 4.14 O ATOM 0 H GLY A 18 2.690 -1.050 14.983 1.00 4.43 H new ATOM 0 HA2 GLY A 18 3.151 -2.045 12.246 1.00 62.43 H new ATOM 0 HA3 GLY A 18 3.242 -0.387 12.809 1.00 62.43 H new ATOM 275 N PRO A 19 5.759 -1.650 12.194 1.00 70.01 N ATOM 276 CA PRO A 19 7.217 -1.814 12.286 1.00 44.10 C ATOM 277 C PRO A 19 7.925 -0.514 12.672 1.00 54.21 C ATOM 278 O PRO A 19 9.118 -0.520 12.990 1.00 25.24 O ATOM 279 CB PRO A 19 7.608 -2.244 10.867 1.00 3.10 C ATOM 280 CG PRO A 19 6.582 -1.607 9.992 1.00 3.42 C ATOM 281 CD PRO A 19 5.299 -1.602 10.789 1.00 44.32 C ATOM 0 HA PRO A 19 7.504 -2.528 13.058 1.00 44.10 H new ATOM 0 HB2 PRO A 19 8.613 -1.907 10.612 1.00 3.10 H new ATOM 0 HB3 PRO A 19 7.600 -3.329 10.764 1.00 3.10 H new ATOM 0 HG2 PRO A 19 6.876 -0.593 9.720 1.00 3.42 H new ATOM 0 HG3 PRO A 19 6.462 -2.164 9.063 1.00 3.42 H new ATOM 0 HD2 PRO A 19 4.708 -0.708 10.591 1.00 44.32 H new ATOM 0 HD3 PRO A 19 4.672 -2.459 10.543 1.00 44.32 H new ATOM 289 N GLY A 20 7.180 0.592 12.653 1.00 75.15 N ATOM 290 CA GLY A 20 7.769 1.895 12.919 1.00 62.32 C ATOM 291 C GLY A 20 8.807 2.248 11.874 1.00 51.32 C ATOM 292 O GLY A 20 10.005 2.293 12.164 1.00 4.11 O ATOM 0 H GLY A 20 6.179 0.608 12.458 1.00 75.15 H new ATOM 0 HA2 GLY A 20 6.988 2.655 12.931 1.00 62.32 H new ATOM 0 HA3 GLY A 20 8.229 1.895 13.907 1.00 62.32 H new ATOM 296 N SER A 21 8.343 2.492 10.657 1.00 5.43 N ATOM 297 CA SER A 21 9.225 2.660 9.514 1.00 62.14 C ATOM 298 C SER A 21 8.692 3.742 8.575 1.00 40.33 C ATOM 299 O SER A 21 7.791 4.496 8.940 1.00 13.01 O ATOM 300 CB SER A 21 9.327 1.323 8.771 1.00 0.41 C ATOM 301 OG SER A 21 9.719 0.278 9.647 1.00 72.33 O ATOM 0 H SER A 21 7.351 2.578 10.436 1.00 5.43 H new ATOM 0 HA SER A 21 10.211 2.970 9.861 1.00 62.14 H new ATOM 0 HB2 SER A 21 8.365 1.081 8.319 1.00 0.41 H new ATOM 0 HB3 SER A 21 10.048 1.410 7.958 1.00 0.41 H new ATOM 0 HG SER A 21 10.511 -0.172 9.285 1.00 72.33 H new ATOM 307 N MET A 22 9.260 3.808 7.368 1.00 33.22 N ATOM 308 CA MET A 22 8.766 4.700 6.311 1.00 23.40 C ATOM 309 C MET A 22 7.313 4.367 5.965 1.00 53.23 C ATOM 310 O MET A 22 6.612 5.153 5.326 1.00 44.42 O ATOM 311 CB MET A 22 9.640 4.565 5.055 1.00 32.52 C ATOM 312 CG MET A 22 11.080 5.031 5.242 1.00 33.33 C ATOM 313 SD MET A 22 11.226 6.822 5.404 1.00 40.14 S ATOM 314 CE MET A 22 10.661 7.361 3.789 1.00 54.30 C ATOM 0 H MET A 22 10.069 3.250 7.095 1.00 33.22 H new ATOM 0 HA MET A 22 8.816 5.726 6.675 1.00 23.40 H new ATOM 0 HB2 MET A 22 9.646 3.521 4.741 1.00 32.52 H new ATOM 0 HB3 MET A 22 9.186 5.139 4.247 1.00 32.52 H new ATOM 0 HG2 MET A 22 11.497 4.556 6.130 1.00 33.33 H new ATOM 0 HG3 MET A 22 11.677 4.699 4.393 1.00 33.33 H new ATOM 0 HE1 MET A 22 11.059 8.353 3.577 1.00 54.30 H new ATOM 0 HE2 MET A 22 11.008 6.660 3.030 1.00 54.30 H new ATOM 0 HE3 MET A 22 9.572 7.397 3.778 1.00 54.30 H new ATOM 324 N ILE A 23 6.887 3.179 6.380 1.00 51.52 N ATOM 325 CA ILE A 23 5.526 2.717 6.155 1.00 33.21 C ATOM 326 C ILE A 23 4.600 3.277 7.239 1.00 2.02 C ATOM 327 O ILE A 23 4.837 3.061 8.431 1.00 34.34 O ATOM 328 CB ILE A 23 5.452 1.168 6.177 1.00 21.22 C ATOM 329 CG1 ILE A 23 6.633 0.545 5.406 1.00 51.53 C ATOM 330 CG2 ILE A 23 4.125 0.693 5.595 1.00 33.21 C ATOM 331 CD1 ILE A 23 6.713 0.951 3.949 1.00 21.24 C ATOM 0 H ILE A 23 7.475 2.512 6.880 1.00 51.52 H new ATOM 0 HA ILE A 23 5.209 3.070 5.174 1.00 33.21 H new ATOM 0 HB ILE A 23 5.517 0.840 7.214 1.00 21.22 H new ATOM 0 HG12 ILE A 23 7.563 0.826 5.901 1.00 51.53 H new ATOM 0 HG13 ILE A 23 6.557 -0.541 5.464 1.00 51.53 H new ATOM 0 HG21 ILE A 23 4.087 -0.396 5.617 1.00 33.21 H new ATOM 0 HG22 ILE A 23 3.303 1.097 6.186 1.00 33.21 H new ATOM 0 HG23 ILE A 23 4.035 1.039 4.565 1.00 33.21 H new ATOM 0 HD11 ILE A 23 7.572 0.468 3.483 1.00 21.24 H new ATOM 0 HD12 ILE A 23 5.802 0.645 3.435 1.00 21.24 H new ATOM 0 HD13 ILE A 23 6.823 2.033 3.878 1.00 21.24 H new ATOM 343 N GLU A 24 3.556 3.987 6.822 1.00 24.40 N ATOM 344 CA GLU A 24 2.610 4.599 7.756 1.00 11.30 C ATOM 345 C GLU A 24 1.700 3.528 8.367 1.00 21.03 C ATOM 346 O GLU A 24 1.576 2.430 7.824 1.00 34.10 O ATOM 347 CB GLU A 24 1.785 5.669 7.018 1.00 75.43 C ATOM 348 CG GLU A 24 0.666 6.312 7.841 1.00 32.02 C ATOM 349 CD GLU A 24 1.165 7.254 8.927 1.00 70.42 C ATOM 350 OE1 GLU A 24 1.682 6.768 9.954 1.00 11.41 O ATOM 351 OE2 GLU A 24 1.022 8.488 8.765 1.00 44.41 O ATOM 0 H GLU A 24 3.341 4.155 5.839 1.00 24.40 H new ATOM 0 HA GLU A 24 3.157 5.076 8.569 1.00 11.30 H new ATOM 0 HB2 GLU A 24 2.460 6.454 6.677 1.00 75.43 H new ATOM 0 HB3 GLU A 24 1.346 5.217 6.129 1.00 75.43 H new ATOM 0 HG2 GLU A 24 0.006 6.863 7.171 1.00 32.02 H new ATOM 0 HG3 GLU A 24 0.069 5.525 8.302 1.00 32.02 H new ATOM 358 N GLN A 25 1.079 3.841 9.503 1.00 21.12 N ATOM 359 CA GLN A 25 0.152 2.923 10.167 1.00 43.43 C ATOM 360 C GLN A 25 -1.121 3.672 10.584 1.00 21.33 C ATOM 361 O GLN A 25 -1.072 4.587 11.411 1.00 14.52 O ATOM 362 CB GLN A 25 0.838 2.259 11.373 1.00 65.13 C ATOM 363 CG GLN A 25 1.427 3.241 12.383 1.00 63.12 C ATOM 364 CD GLN A 25 2.193 2.550 13.499 1.00 50.02 C ATOM 365 OE1 GLN A 25 1.898 1.408 13.863 1.00 5.11 O ATOM 366 NE2 GLN A 25 3.176 3.239 14.061 1.00 53.32 N ATOM 0 H GLN A 25 1.202 4.731 9.987 1.00 21.12 H new ATOM 0 HA GLN A 25 -0.136 2.134 9.472 1.00 43.43 H new ATOM 0 HB2 GLN A 25 0.114 1.623 11.883 1.00 65.13 H new ATOM 0 HB3 GLN A 25 1.634 1.609 11.010 1.00 65.13 H new ATOM 0 HG2 GLN A 25 2.093 3.932 11.865 1.00 63.12 H new ATOM 0 HG3 GLN A 25 0.623 3.837 12.815 1.00 63.12 H new ATOM 0 HE21 GLN A 25 3.391 4.181 13.733 1.00 53.32 H new ATOM 0 HE22 GLN A 25 3.718 2.827 14.821 1.00 53.32 H new ATOM 375 N ILE A 26 -2.258 3.288 9.997 1.00 24.41 N ATOM 376 CA ILE A 26 -3.512 4.040 10.148 1.00 35.45 C ATOM 377 C ILE A 26 -4.727 3.119 10.309 1.00 61.21 C ATOM 378 O ILE A 26 -4.597 1.890 10.333 1.00 14.23 O ATOM 379 CB ILE A 26 -3.748 4.965 8.924 1.00 63.42 C ATOM 380 CG1 ILE A 26 -3.753 4.146 7.621 1.00 3.55 C ATOM 381 CG2 ILE A 26 -2.694 6.069 8.870 1.00 61.42 C ATOM 382 CD1 ILE A 26 -3.935 4.983 6.370 1.00 23.43 C ATOM 0 H ILE A 26 -2.338 2.458 9.410 1.00 24.41 H new ATOM 0 HA ILE A 26 -3.407 4.636 11.055 1.00 35.45 H new ATOM 0 HB ILE A 26 -4.725 5.437 9.033 1.00 63.42 H new ATOM 0 HG12 ILE A 26 -2.815 3.596 7.545 1.00 3.55 H new ATOM 0 HG13 ILE A 26 -4.552 3.407 7.671 1.00 3.55 H new ATOM 0 HG21 ILE A 26 -2.878 6.706 8.005 1.00 61.42 H new ATOM 0 HG22 ILE A 26 -2.748 6.668 9.779 1.00 61.42 H new ATOM 0 HG23 ILE A 26 -1.703 5.622 8.788 1.00 61.42 H new ATOM 0 HD11 ILE A 26 -3.928 4.334 5.494 1.00 23.43 H new ATOM 0 HD12 ILE A 26 -4.886 5.512 6.422 1.00 23.43 H new ATOM 0 HD13 ILE A 26 -3.122 5.705 6.294 1.00 23.43 H new ATOM 394 N GLY A 27 -5.904 3.741 10.452 1.00 61.14 N ATOM 395 CA GLY A 27 -7.170 3.021 10.507 1.00 70.42 C ATOM 396 C GLY A 27 -8.117 3.484 9.410 1.00 21.25 C ATOM 397 O GLY A 27 -7.671 4.046 8.414 1.00 51.10 O ATOM 0 H GLY A 27 -5.999 4.753 10.532 1.00 61.14 H new ATOM 0 HA2 GLY A 27 -6.987 1.951 10.405 1.00 70.42 H new ATOM 0 HA3 GLY A 27 -7.636 3.173 11.481 1.00 70.42 H new ATOM 401 N ASP A 28 -9.422 3.281 9.606 1.00 33.42 N ATOM 402 CA ASP A 28 -10.432 3.622 8.589 1.00 25.55 C ATOM 403 C ASP A 28 -10.540 5.132 8.402 1.00 34.24 C ATOM 404 O ASP A 28 -10.466 5.638 7.280 1.00 5.10 O ATOM 405 CB ASP A 28 -11.806 3.048 8.976 1.00 31.10 C ATOM 406 CG ASP A 28 -12.925 3.464 8.021 1.00 14.10 C ATOM 407 OD1 ASP A 28 -13.566 4.511 8.264 1.00 21.12 O ATOM 408 OD2 ASP A 28 -13.180 2.739 7.036 1.00 64.14 O ATOM 0 H ASP A 28 -9.809 2.881 10.461 1.00 33.42 H new ATOM 0 HA ASP A 28 -10.112 3.178 7.646 1.00 25.55 H new ATOM 0 HB2 ASP A 28 -11.744 1.960 9.000 1.00 31.10 H new ATOM 0 HB3 ASP A 28 -12.058 3.375 9.985 1.00 31.10 H new ATOM 413 N SER A 29 -10.702 5.849 9.508 1.00 14.53 N ATOM 414 CA SER A 29 -10.870 7.297 9.467 1.00 23.12 C ATOM 415 C SER A 29 -9.667 7.954 8.782 1.00 55.21 C ATOM 416 O SER A 29 -9.826 8.843 7.941 1.00 53.23 O ATOM 417 CB SER A 29 -11.059 7.853 10.887 1.00 31.50 C ATOM 418 OG SER A 29 -11.447 9.219 10.864 1.00 0.12 O ATOM 0 H SER A 29 -10.721 5.450 10.447 1.00 14.53 H new ATOM 0 HA SER A 29 -11.763 7.529 8.887 1.00 23.12 H new ATOM 0 HB2 SER A 29 -11.815 7.268 11.410 1.00 31.50 H new ATOM 0 HB3 SER A 29 -10.130 7.747 11.447 1.00 31.50 H new ATOM 0 HG SER A 29 -11.561 9.542 11.782 1.00 0.12 H new ATOM 424 N GLU A 30 -8.462 7.499 9.130 1.00 44.02 N ATOM 425 CA GLU A 30 -7.246 8.031 8.523 1.00 22.40 C ATOM 426 C GLU A 30 -6.947 7.366 7.185 1.00 64.43 C ATOM 427 O GLU A 30 -6.102 7.850 6.437 1.00 54.11 O ATOM 428 CB GLU A 30 -6.036 7.891 9.452 1.00 62.45 C ATOM 429 CG GLU A 30 -5.965 8.959 10.539 1.00 44.02 C ATOM 430 CD GLU A 30 -4.574 9.088 11.145 1.00 52.32 C ATOM 431 OE1 GLU A 30 -3.584 8.765 10.453 1.00 71.21 O ATOM 432 OE2 GLU A 30 -4.466 9.532 12.306 1.00 42.53 O ATOM 0 H GLU A 30 -8.305 6.768 9.824 1.00 44.02 H new ATOM 0 HA GLU A 30 -7.428 9.092 8.351 1.00 22.40 H new ATOM 0 HB2 GLU A 30 -6.064 6.908 9.923 1.00 62.45 H new ATOM 0 HB3 GLU A 30 -5.125 7.933 8.855 1.00 62.45 H new ATOM 0 HG2 GLU A 30 -6.265 9.919 10.119 1.00 44.02 H new ATOM 0 HG3 GLU A 30 -6.679 8.718 11.326 1.00 44.02 H new ATOM 439 N PHE A 31 -7.622 6.260 6.882 1.00 2.32 N ATOM 440 CA PHE A 31 -7.459 5.617 5.580 1.00 72.32 C ATOM 441 C PHE A 31 -7.817 6.614 4.488 1.00 74.34 C ATOM 442 O PHE A 31 -6.992 6.942 3.637 1.00 54.54 O ATOM 443 CB PHE A 31 -8.329 4.356 5.461 1.00 52.24 C ATOM 444 CG PHE A 31 -8.197 3.653 4.133 1.00 41.32 C ATOM 445 CD1 PHE A 31 -7.073 2.887 3.846 1.00 52.12 C ATOM 446 CD2 PHE A 31 -9.194 3.757 3.174 1.00 11.10 C ATOM 447 CE1 PHE A 31 -6.950 2.244 2.630 1.00 24.30 C ATOM 448 CE2 PHE A 31 -9.072 3.115 1.957 1.00 30.31 C ATOM 449 CZ PHE A 31 -7.950 2.357 1.686 1.00 24.02 C ATOM 0 H PHE A 31 -8.278 5.795 7.510 1.00 2.32 H new ATOM 0 HA PHE A 31 -6.420 5.305 5.471 1.00 72.32 H new ATOM 0 HB2 PHE A 31 -8.060 3.663 6.258 1.00 52.24 H new ATOM 0 HB3 PHE A 31 -9.373 4.629 5.616 1.00 52.24 H new ATOM 0 HD1 PHE A 31 -6.288 2.794 4.582 1.00 52.12 H new ATOM 0 HD2 PHE A 31 -10.075 4.346 3.381 1.00 11.10 H new ATOM 0 HE1 PHE A 31 -6.071 1.653 2.418 1.00 24.30 H new ATOM 0 HE2 PHE A 31 -9.854 3.206 1.218 1.00 30.31 H new ATOM 0 HZ PHE A 31 -7.855 1.853 0.736 1.00 24.02 H new ATOM 459 N ASP A 32 -9.041 7.124 4.550 1.00 61.33 N ATOM 460 CA ASP A 32 -9.497 8.134 3.602 1.00 65.32 C ATOM 461 C ASP A 32 -8.602 9.363 3.656 1.00 32.31 C ATOM 462 O ASP A 32 -8.101 9.809 2.629 1.00 11.01 O ATOM 463 CB ASP A 32 -10.945 8.533 3.886 1.00 12.44 C ATOM 464 CG ASP A 32 -11.454 9.624 2.952 1.00 61.23 C ATOM 465 OD1 ASP A 32 -11.313 10.820 3.280 1.00 62.21 O ATOM 466 OD2 ASP A 32 -12.010 9.283 1.883 1.00 54.40 O ATOM 0 H ASP A 32 -9.736 6.855 5.247 1.00 61.33 H new ATOM 0 HA ASP A 32 -9.444 7.702 2.603 1.00 65.32 H new ATOM 0 HB2 ASP A 32 -11.584 7.655 3.792 1.00 12.44 H new ATOM 0 HB3 ASP A 32 -11.026 8.877 4.917 1.00 12.44 H new ATOM 471 N ASN A 33 -8.388 9.888 4.863 1.00 52.23 N ATOM 472 CA ASN A 33 -7.588 11.102 5.048 1.00 10.30 C ATOM 473 C ASN A 33 -6.223 10.972 4.376 1.00 53.41 C ATOM 474 O ASN A 33 -5.881 11.758 3.503 1.00 11.42 O ATOM 475 CB ASN A 33 -7.385 11.411 6.541 1.00 65.41 C ATOM 476 CG ASN A 33 -8.655 11.822 7.274 1.00 73.44 C ATOM 477 OD1 ASN A 33 -8.797 11.573 8.473 1.00 63.02 O ATOM 478 ND2 ASN A 33 -9.579 12.466 6.578 1.00 3.14 N ATOM 0 H ASN A 33 -8.757 9.493 5.728 1.00 52.23 H new ATOM 0 HA ASN A 33 -8.139 11.920 4.584 1.00 10.30 H new ATOM 0 HB2 ASN A 33 -6.967 10.530 7.029 1.00 65.41 H new ATOM 0 HB3 ASN A 33 -6.649 12.209 6.638 1.00 65.41 H new ATOM 0 HD21 ASN A 33 -10.439 12.772 7.033 1.00 3.14 H new ATOM 0 HD22 ASN A 33 -9.431 12.656 5.587 1.00 3.14 H new ATOM 485 N LYS A 34 -5.468 9.951 4.767 1.00 62.05 N ATOM 486 CA LYS A 34 -4.087 9.790 4.314 1.00 33.31 C ATOM 487 C LYS A 34 -4.020 9.435 2.828 1.00 42.35 C ATOM 488 O LYS A 34 -3.121 9.893 2.119 1.00 62.14 O ATOM 489 CB LYS A 34 -3.366 8.728 5.160 1.00 60.23 C ATOM 490 CG LYS A 34 -3.184 9.120 6.628 1.00 22.20 C ATOM 491 CD LYS A 34 -2.288 10.348 6.783 1.00 53.43 C ATOM 492 CE LYS A 34 -2.138 10.775 8.242 1.00 32.11 C ATOM 493 NZ LYS A 34 -1.529 9.713 9.093 1.00 52.31 N ATOM 0 H LYS A 34 -5.789 9.218 5.400 1.00 62.05 H new ATOM 0 HA LYS A 34 -3.580 10.746 4.445 1.00 33.31 H new ATOM 0 HB2 LYS A 34 -3.928 7.796 5.111 1.00 60.23 H new ATOM 0 HB3 LYS A 34 -2.387 8.533 4.723 1.00 60.23 H new ATOM 0 HG2 LYS A 34 -4.158 9.323 7.073 1.00 22.20 H new ATOM 0 HG3 LYS A 34 -2.751 8.283 7.176 1.00 22.20 H new ATOM 0 HD2 LYS A 34 -1.304 10.132 6.367 1.00 53.43 H new ATOM 0 HD3 LYS A 34 -2.704 11.174 6.206 1.00 53.43 H new ATOM 0 HE2 LYS A 34 -1.522 11.673 8.292 1.00 32.11 H new ATOM 0 HE3 LYS A 34 -3.117 11.038 8.642 1.00 32.11 H new ATOM 0 HZ1 LYS A 34 -1.097 10.147 9.933 1.00 52.31 H new ATOM 0 HZ2 LYS A 34 -2.265 9.041 9.390 1.00 52.31 H new ATOM 0 HZ3 LYS A 34 -0.799 9.209 8.550 1.00 52.31 H new ATOM 507 N VAL A 35 -4.966 8.624 2.352 1.00 70.20 N ATOM 508 CA VAL A 35 -5.000 8.247 0.940 1.00 21.42 C ATOM 509 C VAL A 35 -5.353 9.452 0.067 1.00 65.02 C ATOM 510 O VAL A 35 -4.711 9.690 -0.957 1.00 21.04 O ATOM 511 CB VAL A 35 -5.988 7.078 0.667 1.00 64.20 C ATOM 512 CG1 VAL A 35 -6.171 6.850 -0.836 1.00 15.32 C ATOM 513 CG2 VAL A 35 -5.501 5.795 1.344 1.00 10.43 C ATOM 0 H VAL A 35 -5.712 8.219 2.918 1.00 70.20 H new ATOM 0 HA VAL A 35 -4.001 7.899 0.680 1.00 21.42 H new ATOM 0 HB VAL A 35 -6.955 7.351 1.089 1.00 64.20 H new ATOM 0 HG11 VAL A 35 -6.867 6.027 -0.997 1.00 15.32 H new ATOM 0 HG12 VAL A 35 -6.567 7.755 -1.296 1.00 15.32 H new ATOM 0 HG13 VAL A 35 -5.209 6.605 -1.287 1.00 15.32 H new ATOM 0 HG21 VAL A 35 -6.205 4.987 1.142 1.00 10.43 H new ATOM 0 HG22 VAL A 35 -4.519 5.527 0.953 1.00 10.43 H new ATOM 0 HG23 VAL A 35 -5.431 5.955 2.420 1.00 10.43 H new ATOM 523 N THR A 36 -6.363 10.222 0.474 1.00 50.54 N ATOM 524 CA THR A 36 -6.761 11.404 -0.290 1.00 20.21 C ATOM 525 C THR A 36 -5.769 12.552 -0.092 1.00 63.32 C ATOM 526 O THR A 36 -5.634 13.422 -0.954 1.00 21.44 O ATOM 527 CB THR A 36 -8.184 11.879 0.086 1.00 5.23 C ATOM 528 OG1 THR A 36 -8.252 12.201 1.483 1.00 44.12 O ATOM 529 CG2 THR A 36 -9.220 10.810 -0.243 1.00 43.42 C ATOM 0 H THR A 36 -6.913 10.052 1.316 1.00 50.54 H new ATOM 0 HA THR A 36 -6.761 11.112 -1.340 1.00 20.21 H new ATOM 0 HB THR A 36 -8.404 12.772 -0.500 1.00 5.23 H new ATOM 0 HG1 THR A 36 -8.539 11.411 1.987 1.00 44.12 H new ATOM 0 HG21 THR A 36 -10.212 11.168 0.031 1.00 43.42 H new ATOM 0 HG22 THR A 36 -9.194 10.595 -1.311 1.00 43.42 H new ATOM 0 HG23 THR A 36 -8.995 9.902 0.316 1.00 43.42 H new ATOM 537 N SER A 37 -5.059 12.537 1.037 1.00 32.41 N ATOM 538 CA SER A 37 -4.115 13.601 1.374 1.00 42.30 C ATOM 539 C SER A 37 -2.882 13.572 0.467 1.00 61.43 C ATOM 540 O SER A 37 -2.048 14.479 0.524 1.00 60.21 O ATOM 541 CB SER A 37 -3.688 13.489 2.845 1.00 33.22 C ATOM 542 OG SER A 37 -2.810 14.541 3.220 1.00 42.30 O ATOM 0 H SER A 37 -5.121 11.796 1.735 1.00 32.41 H new ATOM 0 HA SER A 37 -4.623 14.553 1.218 1.00 42.30 H new ATOM 0 HB2 SER A 37 -4.572 13.508 3.483 1.00 33.22 H new ATOM 0 HB3 SER A 37 -3.197 12.530 3.009 1.00 33.22 H new ATOM 0 HG SER A 37 -2.390 14.918 2.419 1.00 42.30 H new ATOM 548 N CYS A 38 -2.756 12.532 -0.358 1.00 63.34 N ATOM 549 CA CYS A 38 -1.639 12.438 -1.289 1.00 53.43 C ATOM 550 C CYS A 38 -1.649 13.644 -2.227 1.00 13.14 C ATOM 551 O CYS A 38 -2.711 14.050 -2.704 1.00 3.31 O ATOM 552 CB CYS A 38 -1.726 11.142 -2.091 1.00 61.15 C ATOM 553 SG CYS A 38 -3.243 10.988 -3.055 1.00 11.41 S ATOM 0 H CYS A 38 -3.410 11.750 -0.398 1.00 63.34 H new ATOM 0 HA CYS A 38 -0.705 12.433 -0.726 1.00 53.43 H new ATOM 0 HB2 CYS A 38 -0.871 11.083 -2.764 1.00 61.15 H new ATOM 0 HB3 CYS A 38 -1.653 10.296 -1.407 1.00 61.15 H new ATOM 0 HG CYS A 38 -4.121 10.309 -2.378 1.00 11.41 H new ATOM 559 N ASN A 39 -0.470 14.212 -2.473 1.00 12.43 N ATOM 560 CA ASN A 39 -0.332 15.420 -3.295 1.00 33.43 C ATOM 561 C ASN A 39 -1.108 15.287 -4.605 1.00 45.33 C ATOM 562 O ASN A 39 -2.214 15.816 -4.733 1.00 63.01 O ATOM 563 CB ASN A 39 1.153 15.707 -3.569 1.00 34.35 C ATOM 564 CG ASN A 39 1.955 15.871 -2.290 1.00 61.43 C ATOM 565 OD1 ASN A 39 2.472 14.896 -1.740 1.00 42.22 O ATOM 566 ND2 ASN A 39 2.059 17.098 -1.803 1.00 72.41 N ATOM 0 H ASN A 39 0.414 13.853 -2.112 1.00 12.43 H new ATOM 0 HA ASN A 39 -0.755 16.260 -2.743 1.00 33.43 H new ATOM 0 HB2 ASN A 39 1.575 14.893 -4.158 1.00 34.35 H new ATOM 0 HB3 ASN A 39 1.241 16.613 -4.169 1.00 34.35 H new ATOM 0 HD21 ASN A 39 2.582 17.263 -0.943 1.00 72.41 H new ATOM 0 HD22 ASN A 39 1.616 17.878 -2.288 1.00 72.41 H new ATOM 573 N ASP A 40 -0.534 14.579 -5.573 1.00 72.44 N ATOM 574 CA ASP A 40 -1.236 14.270 -6.818 1.00 22.44 C ATOM 575 C ASP A 40 -0.539 13.113 -7.519 1.00 72.45 C ATOM 576 O ASP A 40 0.681 12.984 -7.423 1.00 11.41 O ATOM 577 CB ASP A 40 -1.294 15.493 -7.744 1.00 51.25 C ATOM 578 CG ASP A 40 -2.339 15.337 -8.841 1.00 12.22 C ATOM 579 OD1 ASP A 40 -2.041 14.715 -9.884 1.00 3.00 O ATOM 580 OD2 ASP A 40 -3.475 15.827 -8.659 1.00 60.15 O ATOM 0 H ASP A 40 0.415 14.208 -5.521 1.00 72.44 H new ATOM 0 HA ASP A 40 -2.261 13.988 -6.576 1.00 22.44 H new ATOM 0 HB2 ASP A 40 -1.519 16.382 -7.155 1.00 51.25 H new ATOM 0 HB3 ASP A 40 -0.315 15.650 -8.197 1.00 51.25 H new ATOM 585 N ASN A 41 -1.324 12.265 -8.188 1.00 21.31 N ATOM 586 CA ASN A 41 -0.826 11.094 -8.943 1.00 32.40 C ATOM 587 C ASN A 41 0.170 10.233 -8.145 1.00 12.53 C ATOM 588 O ASN A 41 0.817 9.347 -8.712 1.00 74.42 O ATOM 589 CB ASN A 41 -0.200 11.511 -10.294 1.00 3.40 C ATOM 590 CG ASN A 41 1.107 12.288 -10.162 1.00 13.42 C ATOM 591 OD1 ASN A 41 1.115 13.518 -10.159 1.00 13.23 O ATOM 592 ND2 ASN A 41 2.219 11.578 -10.049 1.00 20.42 N ATOM 0 H ASN A 41 -2.338 12.367 -8.226 1.00 21.31 H new ATOM 0 HA ASN A 41 -1.705 10.478 -9.133 1.00 32.40 H new ATOM 0 HB2 ASN A 41 -0.020 10.616 -10.890 1.00 3.40 H new ATOM 0 HB3 ASN A 41 -0.918 12.120 -10.842 1.00 3.40 H new ATOM 0 HD21 ASN A 41 3.118 12.050 -9.956 1.00 20.42 H new ATOM 0 HD22 ASN A 41 2.176 10.559 -10.055 1.00 20.42 H new ATOM 599 N ILE A 42 0.258 10.461 -6.837 1.00 60.15 N ATOM 600 CA ILE A 42 1.187 9.722 -5.983 1.00 34.51 C ATOM 601 C ILE A 42 0.808 8.244 -5.944 1.00 4.32 C ATOM 602 O ILE A 42 -0.375 7.904 -5.840 1.00 20.34 O ATOM 603 CB ILE A 42 1.200 10.291 -4.538 1.00 42.44 C ATOM 604 CG1 ILE A 42 1.631 11.771 -4.541 1.00 3.32 C ATOM 605 CG2 ILE A 42 2.111 9.464 -3.628 1.00 34.23 C ATOM 606 CD1 ILE A 42 3.018 12.012 -5.105 1.00 24.42 C ATOM 0 H ILE A 42 -0.304 11.154 -6.343 1.00 60.15 H new ATOM 0 HA ILE A 42 2.185 9.832 -6.407 1.00 34.51 H new ATOM 0 HB ILE A 42 0.186 10.229 -4.143 1.00 42.44 H new ATOM 0 HG12 ILE A 42 0.910 12.347 -5.121 1.00 3.32 H new ATOM 0 HG13 ILE A 42 1.595 12.151 -3.520 1.00 3.32 H new ATOM 0 HG21 ILE A 42 2.101 9.885 -2.623 1.00 34.23 H new ATOM 0 HG22 ILE A 42 1.754 8.435 -3.594 1.00 34.23 H new ATOM 0 HG23 ILE A 42 3.129 9.482 -4.018 1.00 34.23 H new ATOM 0 HD11 ILE A 42 3.244 13.078 -5.071 1.00 24.42 H new ATOM 0 HD12 ILE A 42 3.752 11.466 -4.512 1.00 24.42 H new ATOM 0 HD13 ILE A 42 3.056 11.666 -6.138 1.00 24.42 H new ATOM 618 N LEU A 43 1.807 7.371 -6.043 1.00 32.33 N ATOM 619 CA LEU A 43 1.572 5.935 -6.027 1.00 53.45 C ATOM 620 C LEU A 43 1.512 5.450 -4.582 1.00 4.14 C ATOM 621 O LEU A 43 2.503 5.489 -3.848 1.00 70.20 O ATOM 622 CB LEU A 43 2.660 5.196 -6.830 1.00 22.24 C ATOM 623 CG LEU A 43 2.362 3.719 -7.186 1.00 22.54 C ATOM 624 CD1 LEU A 43 2.595 2.795 -5.996 1.00 34.42 C ATOM 625 CD2 LEU A 43 0.931 3.566 -7.705 1.00 0.14 C ATOM 0 H LEU A 43 2.788 7.636 -6.135 1.00 32.33 H new ATOM 0 HA LEU A 43 0.617 5.717 -6.506 1.00 53.45 H new ATOM 0 HB2 LEU A 43 2.833 5.743 -7.756 1.00 22.24 H new ATOM 0 HB3 LEU A 43 3.589 5.231 -6.261 1.00 22.24 H new ATOM 0 HG LEU A 43 3.055 3.428 -7.975 1.00 22.54 H new ATOM 0 HD11 LEU A 43 2.375 1.767 -6.285 1.00 34.42 H new ATOM 0 HD12 LEU A 43 3.635 2.868 -5.677 1.00 34.42 H new ATOM 0 HD13 LEU A 43 1.942 3.088 -5.174 1.00 34.42 H new ATOM 0 HD21 LEU A 43 0.742 2.521 -7.949 1.00 0.14 H new ATOM 0 HD22 LEU A 43 0.229 3.892 -6.938 1.00 0.14 H new ATOM 0 HD23 LEU A 43 0.801 4.177 -8.598 1.00 0.14 H new ATOM 637 N ILE A 44 0.331 5.010 -4.186 1.00 25.44 N ATOM 638 CA ILE A 44 0.073 4.580 -2.824 1.00 51.41 C ATOM 639 C ILE A 44 -0.054 3.063 -2.755 1.00 73.42 C ATOM 640 O ILE A 44 -0.639 2.438 -3.641 1.00 63.43 O ATOM 641 CB ILE A 44 -1.232 5.222 -2.286 1.00 41.02 C ATOM 642 CG1 ILE A 44 -1.134 6.757 -2.336 1.00 61.55 C ATOM 643 CG2 ILE A 44 -1.530 4.744 -0.866 1.00 13.43 C ATOM 644 CD1 ILE A 44 -2.398 7.467 -1.890 1.00 11.44 C ATOM 0 H ILE A 44 -0.479 4.941 -4.802 1.00 25.44 H new ATOM 0 HA ILE A 44 0.914 4.901 -2.209 1.00 51.41 H new ATOM 0 HB ILE A 44 -2.057 4.908 -2.925 1.00 41.02 H new ATOM 0 HG12 ILE A 44 -0.306 7.079 -1.705 1.00 61.55 H new ATOM 0 HG13 ILE A 44 -0.897 7.063 -3.355 1.00 61.55 H new ATOM 0 HG21 ILE A 44 -2.450 5.209 -0.511 1.00 13.43 H new ATOM 0 HG22 ILE A 44 -1.646 3.660 -0.864 1.00 13.43 H new ATOM 0 HG23 ILE A 44 -0.706 5.022 -0.208 1.00 13.43 H new ATOM 0 HD11 ILE A 44 -2.251 8.545 -1.953 1.00 11.44 H new ATOM 0 HD12 ILE A 44 -3.226 7.175 -2.536 1.00 11.44 H new ATOM 0 HD13 ILE A 44 -2.626 7.191 -0.860 1.00 11.44 H new ATOM 656 N LEU A 45 0.515 2.477 -1.714 1.00 42.02 N ATOM 657 CA LEU A 45 0.308 1.068 -1.410 1.00 44.50 C ATOM 658 C LEU A 45 -0.297 0.967 -0.019 1.00 63.31 C ATOM 659 O LEU A 45 0.084 1.720 0.874 1.00 11.53 O ATOM 660 CB LEU A 45 1.622 0.261 -1.458 1.00 3.41 C ATOM 661 CG LEU A 45 2.405 0.308 -2.782 1.00 61.43 C ATOM 662 CD1 LEU A 45 3.177 1.618 -2.912 1.00 10.33 C ATOM 663 CD2 LEU A 45 3.347 -0.889 -2.889 1.00 2.23 C ATOM 0 H LEU A 45 1.130 2.960 -1.059 1.00 42.02 H new ATOM 0 HA LEU A 45 -0.357 0.646 -2.163 1.00 44.50 H new ATOM 0 HB2 LEU A 45 2.274 0.622 -0.662 1.00 3.41 H new ATOM 0 HB3 LEU A 45 1.392 -0.781 -1.234 1.00 3.41 H new ATOM 0 HG LEU A 45 1.690 0.257 -3.603 1.00 61.43 H new ATOM 0 HD11 LEU A 45 3.722 1.627 -3.856 1.00 10.33 H new ATOM 0 HD12 LEU A 45 2.480 2.455 -2.888 1.00 10.33 H new ATOM 0 HD13 LEU A 45 3.882 1.709 -2.085 1.00 10.33 H new ATOM 0 HD21 LEU A 45 3.893 -0.840 -3.831 1.00 2.23 H new ATOM 0 HD22 LEU A 45 4.054 -0.871 -2.059 1.00 2.23 H new ATOM 0 HD23 LEU A 45 2.768 -1.812 -2.853 1.00 2.23 H new ATOM 675 N VAL A 46 -1.254 0.075 0.160 1.00 54.43 N ATOM 676 CA VAL A 46 -1.821 -0.186 1.477 1.00 23.33 C ATOM 677 C VAL A 46 -1.760 -1.675 1.760 1.00 33.44 C ATOM 678 O VAL A 46 -2.532 -2.454 1.199 1.00 53.45 O ATOM 679 CB VAL A 46 -3.288 0.311 1.592 1.00 71.13 C ATOM 680 CG1 VAL A 46 -3.868 -0.014 2.970 1.00 3.25 C ATOM 681 CG2 VAL A 46 -3.378 1.811 1.312 1.00 71.41 C ATOM 0 H VAL A 46 -1.658 -0.484 -0.591 1.00 54.43 H new ATOM 0 HA VAL A 46 -1.233 0.365 2.211 1.00 23.33 H new ATOM 0 HB VAL A 46 -3.879 -0.213 0.841 1.00 71.13 H new ATOM 0 HG11 VAL A 46 -4.896 0.344 3.026 1.00 3.25 H new ATOM 0 HG12 VAL A 46 -3.850 -1.092 3.127 1.00 3.25 H new ATOM 0 HG13 VAL A 46 -3.271 0.475 3.740 1.00 3.25 H new ATOM 0 HG21 VAL A 46 -4.415 2.136 1.398 1.00 71.41 H new ATOM 0 HG22 VAL A 46 -2.767 2.353 2.033 1.00 71.41 H new ATOM 0 HG23 VAL A 46 -3.017 2.015 0.304 1.00 71.41 H new ATOM 691 N ASP A 47 -0.830 -2.065 2.614 1.00 21.32 N ATOM 692 CA ASP A 47 -0.627 -3.467 2.932 1.00 53.40 C ATOM 693 C ASP A 47 -1.270 -3.788 4.277 1.00 31.52 C ATOM 694 O ASP A 47 -1.402 -2.916 5.141 1.00 62.13 O ATOM 695 CB ASP A 47 0.873 -3.807 2.947 1.00 11.23 C ATOM 696 CG ASP A 47 1.610 -3.258 4.156 1.00 51.14 C ATOM 697 OD1 ASP A 47 2.092 -2.108 4.097 1.00 25.52 O ATOM 698 OD2 ASP A 47 1.724 -3.985 5.164 1.00 55.20 O ATOM 0 H ASP A 47 -0.201 -1.427 3.102 1.00 21.32 H new ATOM 0 HA ASP A 47 -1.100 -4.078 2.163 1.00 53.40 H new ATOM 0 HB2 ASP A 47 0.991 -4.890 2.921 1.00 11.23 H new ATOM 0 HB3 ASP A 47 1.335 -3.414 2.041 1.00 11.23 H new ATOM 703 N PHE A 48 -1.709 -5.028 4.440 1.00 4.11 N ATOM 704 CA PHE A 48 -2.291 -5.467 5.703 1.00 72.12 C ATOM 705 C PHE A 48 -1.194 -5.915 6.665 1.00 63.40 C ATOM 706 O PHE A 48 -0.098 -6.278 6.241 1.00 23.42 O ATOM 707 CB PHE A 48 -3.305 -6.590 5.466 1.00 55.52 C ATOM 708 CG PHE A 48 -4.562 -6.128 4.769 1.00 41.30 C ATOM 709 CD1 PHE A 48 -4.572 -5.898 3.401 1.00 44.02 C ATOM 710 CD2 PHE A 48 -5.729 -5.913 5.486 1.00 12.51 C ATOM 711 CE1 PHE A 48 -5.718 -5.467 2.763 1.00 63.41 C ATOM 712 CE2 PHE A 48 -6.879 -5.482 4.852 1.00 63.54 C ATOM 713 CZ PHE A 48 -6.873 -5.259 3.489 1.00 52.43 C ATOM 0 H PHE A 48 -1.674 -5.747 3.717 1.00 4.11 H new ATOM 0 HA PHE A 48 -2.818 -4.627 6.155 1.00 72.12 H new ATOM 0 HB2 PHE A 48 -2.836 -7.373 4.871 1.00 55.52 H new ATOM 0 HB3 PHE A 48 -3.573 -7.035 6.424 1.00 55.52 H new ATOM 0 HD1 PHE A 48 -3.671 -6.058 2.827 1.00 44.02 H new ATOM 0 HD2 PHE A 48 -5.740 -6.084 6.552 1.00 12.51 H new ATOM 0 HE1 PHE A 48 -5.711 -5.293 1.697 1.00 63.41 H new ATOM 0 HE2 PHE A 48 -7.782 -5.320 5.422 1.00 63.54 H new ATOM 0 HZ PHE A 48 -7.771 -4.922 2.992 1.00 52.43 H new ATOM 723 N TRP A 49 -1.505 -5.893 7.961 1.00 71.30 N ATOM 724 CA TRP A 49 -0.525 -6.181 9.011 1.00 42.31 C ATOM 725 C TRP A 49 0.214 -7.499 8.756 1.00 42.02 C ATOM 726 O TRP A 49 1.417 -7.593 9.009 1.00 0.55 O ATOM 727 CB TRP A 49 -1.213 -6.201 10.388 1.00 75.33 C ATOM 728 CG TRP A 49 -2.199 -7.324 10.576 1.00 51.52 C ATOM 729 CD1 TRP A 49 -1.987 -8.492 11.252 1.00 22.40 C ATOM 730 CD2 TRP A 49 -3.549 -7.382 10.090 1.00 0.00 C ATOM 731 NE1 TRP A 49 -3.116 -9.270 11.216 1.00 65.30 N ATOM 732 CE2 TRP A 49 -4.089 -8.614 10.512 1.00 62.40 C ATOM 733 CE3 TRP A 49 -4.354 -6.516 9.343 1.00 14.53 C ATOM 734 CZ2 TRP A 49 -5.392 -8.999 10.210 1.00 73.10 C ATOM 735 CZ3 TRP A 49 -5.648 -6.899 9.045 1.00 64.25 C ATOM 736 CH2 TRP A 49 -6.156 -8.131 9.479 1.00 62.50 C ATOM 0 H TRP A 49 -2.438 -5.676 8.312 1.00 71.30 H new ATOM 0 HA TRP A 49 0.220 -5.386 8.998 1.00 42.31 H new ATOM 0 HB2 TRP A 49 -0.448 -6.272 11.161 1.00 75.33 H new ATOM 0 HB3 TRP A 49 -1.729 -5.252 10.536 1.00 75.33 H new ATOM 0 HD1 TRP A 49 -1.064 -8.763 11.743 1.00 22.40 H new ATOM 0 HE1 TRP A 49 -3.215 -10.190 11.645 1.00 65.30 H new ATOM 0 HE3 TRP A 49 -3.971 -5.564 9.005 1.00 14.53 H new ATOM 0 HZ2 TRP A 49 -5.786 -9.949 10.541 1.00 73.10 H new ATOM 0 HZ3 TRP A 49 -6.278 -6.238 8.468 1.00 64.25 H new ATOM 0 HH2 TRP A 49 -7.172 -8.401 9.231 1.00 62.50 H new ATOM 747 N ALA A 50 -0.522 -8.497 8.245 1.00 31.31 N ATOM 748 CA ALA A 50 0.030 -9.819 7.933 1.00 53.44 C ATOM 749 C ALA A 50 0.428 -10.581 9.206 1.00 73.41 C ATOM 750 O ALA A 50 0.886 -9.984 10.181 1.00 31.22 O ATOM 751 CB ALA A 50 1.216 -9.700 6.977 1.00 61.10 C ATOM 0 H ALA A 50 -1.517 -8.408 8.037 1.00 31.31 H new ATOM 0 HA ALA A 50 -0.753 -10.394 7.439 1.00 53.44 H new ATOM 0 HB1 ALA A 50 1.609 -10.693 6.760 1.00 61.10 H new ATOM 0 HB2 ALA A 50 0.890 -9.228 6.050 1.00 61.10 H new ATOM 0 HB3 ALA A 50 1.996 -9.094 7.438 1.00 61.10 H new ATOM 757 N PRO A 51 0.239 -11.915 9.218 1.00 14.54 N ATOM 758 CA PRO A 51 0.601 -12.754 10.356 1.00 33.33 C ATOM 759 C PRO A 51 2.032 -13.287 10.240 1.00 3.14 C ATOM 760 O PRO A 51 2.809 -12.822 9.400 1.00 60.01 O ATOM 761 CB PRO A 51 -0.419 -13.888 10.247 1.00 33.32 C ATOM 762 CG PRO A 51 -0.629 -14.062 8.773 1.00 65.23 C ATOM 763 CD PRO A 51 -0.350 -12.718 8.128 1.00 54.22 C ATOM 0 HA PRO A 51 0.581 -12.225 11.309 1.00 33.33 H new ATOM 0 HB2 PRO A 51 -0.045 -14.804 10.706 1.00 33.32 H new ATOM 0 HB3 PRO A 51 -1.350 -13.635 10.754 1.00 33.32 H new ATOM 0 HG2 PRO A 51 0.038 -14.827 8.375 1.00 65.23 H new ATOM 0 HG3 PRO A 51 -1.648 -14.387 8.564 1.00 65.23 H new ATOM 0 HD2 PRO A 51 0.336 -12.814 7.287 1.00 54.22 H new ATOM 0 HD3 PRO A 51 -1.263 -12.262 7.744 1.00 54.22 H new ATOM 771 N TRP A 52 2.373 -14.258 11.084 1.00 61.11 N ATOM 772 CA TRP A 52 3.681 -14.906 11.025 1.00 74.23 C ATOM 773 C TRP A 52 3.860 -15.572 9.662 1.00 72.34 C ATOM 774 O TRP A 52 3.359 -16.674 9.426 1.00 15.13 O ATOM 775 CB TRP A 52 3.817 -15.933 12.155 1.00 11.13 C ATOM 776 CG TRP A 52 3.610 -15.335 13.518 1.00 14.45 C ATOM 777 CD1 TRP A 52 2.425 -15.205 14.182 1.00 44.43 C ATOM 778 CD2 TRP A 52 4.615 -14.770 14.374 1.00 42.12 C ATOM 779 NE1 TRP A 52 2.627 -14.600 15.398 1.00 4.32 N ATOM 780 CE2 TRP A 52 3.963 -14.325 15.541 1.00 43.43 C ATOM 781 CE3 TRP A 52 6.001 -14.602 14.269 1.00 41.32 C ATOM 782 CZ2 TRP A 52 4.650 -13.718 16.592 1.00 33.14 C ATOM 783 CZ3 TRP A 52 6.680 -14.001 15.312 1.00 62.44 C ATOM 784 CH2 TRP A 52 6.006 -13.567 16.461 1.00 51.30 C ATOM 0 H TRP A 52 1.761 -14.614 11.818 1.00 61.11 H new ATOM 0 HA TRP A 52 4.461 -14.156 11.155 1.00 74.23 H new ATOM 0 HB2 TRP A 52 3.093 -16.733 12.001 1.00 11.13 H new ATOM 0 HB3 TRP A 52 4.807 -16.387 12.110 1.00 11.13 H new ATOM 0 HD1 TRP A 52 1.467 -15.531 13.805 1.00 44.43 H new ATOM 0 HE1 TRP A 52 1.902 -14.389 16.083 1.00 4.32 H new ATOM 0 HE3 TRP A 52 6.530 -14.936 13.389 1.00 41.32 H new ATOM 0 HZ2 TRP A 52 4.132 -13.379 17.477 1.00 33.14 H new ATOM 0 HZ3 TRP A 52 7.749 -13.864 15.240 1.00 62.44 H new ATOM 0 HH2 TRP A 52 6.566 -13.104 17.260 1.00 51.30 H new ATOM 795 N CYS A 53 4.548 -14.878 8.764 1.00 12.12 N ATOM 796 CA CYS A 53 4.645 -15.283 7.364 1.00 34.43 C ATOM 797 C CYS A 53 6.092 -15.226 6.876 1.00 11.43 C ATOM 798 O CYS A 53 6.765 -14.200 7.021 1.00 40.02 O ATOM 799 CB CYS A 53 3.751 -14.364 6.524 1.00 64.23 C ATOM 800 SG CYS A 53 3.983 -14.492 4.723 1.00 44.12 S ATOM 0 H CYS A 53 5.054 -14.020 8.983 1.00 12.12 H new ATOM 0 HA CYS A 53 4.309 -16.315 7.261 1.00 34.43 H new ATOM 0 HB2 CYS A 53 2.709 -14.585 6.757 1.00 64.23 H new ATOM 0 HB3 CYS A 53 3.933 -13.332 6.825 1.00 64.23 H new ATOM 805 N GLY A 54 6.557 -16.336 6.299 1.00 52.23 N ATOM 806 CA GLY A 54 7.935 -16.446 5.836 1.00 24.35 C ATOM 807 C GLY A 54 8.310 -15.392 4.804 1.00 4.42 C ATOM 808 O GLY A 54 9.121 -14.512 5.091 1.00 61.12 O ATOM 0 H GLY A 54 5.994 -17.172 6.142 1.00 52.23 H new ATOM 0 HA2 GLY A 54 8.606 -16.362 6.691 1.00 24.35 H new ATOM 0 HA3 GLY A 54 8.089 -17.436 5.406 1.00 24.35 H new ATOM 812 N PRO A 55 7.731 -15.448 3.586 1.00 0.43 N ATOM 813 CA PRO A 55 8.037 -14.481 2.522 1.00 73.52 C ATOM 814 C PRO A 55 7.778 -13.043 2.977 1.00 51.41 C ATOM 815 O PRO A 55 8.547 -12.130 2.666 1.00 42.53 O ATOM 816 CB PRO A 55 7.085 -14.881 1.374 1.00 41.23 C ATOM 817 CG PRO A 55 6.047 -15.749 2.010 1.00 32.11 C ATOM 818 CD PRO A 55 6.739 -16.447 3.149 1.00 41.35 C ATOM 0 HA PRO A 55 9.087 -14.505 2.229 1.00 73.52 H new ATOM 0 HB2 PRO A 55 6.634 -14.003 0.912 1.00 41.23 H new ATOM 0 HB3 PRO A 55 7.618 -15.416 0.588 1.00 41.23 H new ATOM 0 HG2 PRO A 55 5.206 -15.155 2.368 1.00 32.11 H new ATOM 0 HG3 PRO A 55 5.647 -16.468 1.295 1.00 32.11 H new ATOM 0 HD2 PRO A 55 6.044 -16.704 3.948 1.00 41.35 H new ATOM 0 HD3 PRO A 55 7.213 -17.375 2.828 1.00 41.35 H new ATOM 826 N CYS A 56 6.706 -12.860 3.743 1.00 54.21 N ATOM 827 CA CYS A 56 6.315 -11.541 4.233 1.00 44.14 C ATOM 828 C CYS A 56 7.406 -10.948 5.127 1.00 44.52 C ATOM 829 O CYS A 56 7.613 -9.731 5.146 1.00 35.12 O ATOM 830 CB CYS A 56 4.991 -11.645 4.992 1.00 60.44 C ATOM 831 SG CYS A 56 3.712 -12.581 4.089 1.00 31.24 S ATOM 0 H CYS A 56 6.088 -13.615 4.040 1.00 54.21 H new ATOM 0 HA CYS A 56 6.183 -10.874 3.381 1.00 44.14 H new ATOM 0 HB2 CYS A 56 5.169 -12.123 5.955 1.00 60.44 H new ATOM 0 HB3 CYS A 56 4.619 -10.641 5.198 1.00 60.44 H new ATOM 836 N ARG A 57 8.118 -11.824 5.840 1.00 64.34 N ATOM 837 CA ARG A 57 9.211 -11.414 6.722 1.00 50.31 C ATOM 838 C ARG A 57 10.236 -10.577 5.954 1.00 2.51 C ATOM 839 O ARG A 57 10.661 -9.523 6.418 1.00 11.13 O ATOM 840 CB ARG A 57 9.885 -12.652 7.328 1.00 12.23 C ATOM 841 CG ARG A 57 11.050 -12.345 8.266 1.00 63.22 C ATOM 842 CD ARG A 57 11.694 -13.626 8.783 1.00 35.51 C ATOM 843 NE ARG A 57 12.803 -13.365 9.702 1.00 54.40 N ATOM 844 CZ ARG A 57 13.383 -14.305 10.454 1.00 41.04 C ATOM 845 NH1 ARG A 57 12.986 -15.573 10.373 1.00 65.13 N ATOM 846 NH2 ARG A 57 14.375 -13.980 11.271 1.00 14.24 N ATOM 0 H ARG A 57 7.954 -12.831 5.822 1.00 64.34 H new ATOM 0 HA ARG A 57 8.801 -10.802 7.526 1.00 50.31 H new ATOM 0 HB2 ARG A 57 9.137 -13.226 7.875 1.00 12.23 H new ATOM 0 HB3 ARG A 57 10.245 -13.287 6.518 1.00 12.23 H new ATOM 0 HG2 ARG A 57 11.795 -11.747 7.741 1.00 63.22 H new ATOM 0 HG3 ARG A 57 10.696 -11.748 9.106 1.00 63.22 H new ATOM 0 HD2 ARG A 57 10.940 -14.229 9.290 1.00 35.51 H new ATOM 0 HD3 ARG A 57 12.056 -14.213 7.939 1.00 35.51 H new ATOM 0 HE ARG A 57 13.154 -12.410 9.772 1.00 54.40 H new ATOM 0 HH11 ARG A 57 12.235 -15.832 9.734 1.00 65.13 H new ATOM 0 HH12 ARG A 57 13.433 -16.285 10.950 1.00 65.13 H new ATOM 0 HH21 ARG A 57 14.695 -13.013 11.325 1.00 14.24 H new ATOM 0 HH22 ARG A 57 14.818 -14.697 11.845 1.00 14.24 H new ATOM 860 N SER A 58 10.629 -11.065 4.780 1.00 55.10 N ATOM 861 CA SER A 58 11.560 -10.346 3.908 1.00 33.31 C ATOM 862 C SER A 58 10.853 -9.174 3.217 1.00 13.30 C ATOM 863 O SER A 58 11.431 -8.095 3.017 1.00 0.45 O ATOM 864 CB SER A 58 12.147 -11.309 2.864 1.00 14.52 C ATOM 865 OG SER A 58 13.057 -10.650 2.002 1.00 21.01 O ATOM 0 H SER A 58 10.316 -11.961 4.407 1.00 55.10 H new ATOM 0 HA SER A 58 12.372 -9.945 4.515 1.00 33.31 H new ATOM 0 HB2 SER A 58 12.654 -12.131 3.370 1.00 14.52 H new ATOM 0 HB3 SER A 58 11.340 -11.746 2.277 1.00 14.52 H new ATOM 0 HG SER A 58 13.413 -11.290 1.351 1.00 21.01 H new ATOM 871 N LEU A 59 9.587 -9.393 2.871 1.00 70.24 N ATOM 872 CA LEU A 59 8.811 -8.419 2.112 1.00 55.43 C ATOM 873 C LEU A 59 8.791 -7.049 2.788 1.00 71.44 C ATOM 874 O LEU A 59 8.972 -6.043 2.117 1.00 24.31 O ATOM 875 CB LEU A 59 7.375 -8.924 1.888 1.00 2.34 C ATOM 876 CG LEU A 59 7.048 -9.379 0.453 1.00 1.11 C ATOM 877 CD1 LEU A 59 7.109 -8.200 -0.514 1.00 63.24 C ATOM 878 CD2 LEU A 59 7.993 -10.493 0.004 1.00 74.14 C ATOM 0 H LEU A 59 9.075 -10.243 3.107 1.00 70.24 H new ATOM 0 HA LEU A 59 9.301 -8.301 1.145 1.00 55.43 H new ATOM 0 HB2 LEU A 59 7.192 -9.758 2.565 1.00 2.34 H new ATOM 0 HB3 LEU A 59 6.682 -8.130 2.166 1.00 2.34 H new ATOM 0 HG LEU A 59 6.032 -9.775 0.448 1.00 1.11 H new ATOM 0 HD11 LEU A 59 6.875 -8.543 -1.522 1.00 63.24 H new ATOM 0 HD12 LEU A 59 6.385 -7.443 -0.211 1.00 63.24 H new ATOM 0 HD13 LEU A 59 8.111 -7.770 -0.501 1.00 63.24 H new ATOM 0 HD21 LEU A 59 7.741 -10.796 -1.012 1.00 74.14 H new ATOM 0 HD22 LEU A 59 9.021 -10.131 0.030 1.00 74.14 H new ATOM 0 HD23 LEU A 59 7.892 -11.347 0.673 1.00 74.14 H new ATOM 890 N GLU A 60 8.579 -7.011 4.105 1.00 54.55 N ATOM 891 CA GLU A 60 8.462 -5.732 4.813 1.00 32.44 C ATOM 892 C GLU A 60 9.749 -4.897 4.688 1.00 52.14 C ATOM 893 O GLU A 60 9.689 -3.762 4.214 1.00 11.44 O ATOM 894 CB GLU A 60 8.057 -5.923 6.286 1.00 32.40 C ATOM 895 CG GLU A 60 6.692 -6.581 6.462 1.00 0.20 C ATOM 896 CD GLU A 60 6.161 -6.464 7.884 1.00 72.34 C ATOM 897 OE1 GLU A 60 6.788 -7.028 8.807 1.00 52.34 O ATOM 898 OE2 GLU A 60 5.114 -5.804 8.085 1.00 44.13 O ATOM 0 H GLU A 60 8.486 -7.837 4.697 1.00 54.55 H new ATOM 0 HA GLU A 60 7.660 -5.174 4.330 1.00 32.44 H new ATOM 0 HB2 GLU A 60 8.811 -6.530 6.786 1.00 32.40 H new ATOM 0 HB3 GLU A 60 8.050 -4.952 6.781 1.00 32.40 H new ATOM 0 HG2 GLU A 60 5.981 -6.123 5.774 1.00 0.20 H new ATOM 0 HG3 GLU A 60 6.764 -7.634 6.191 1.00 0.20 H new ATOM 905 N PRO A 61 10.934 -5.419 5.098 1.00 61.12 N ATOM 906 CA PRO A 61 12.203 -4.708 4.895 1.00 44.41 C ATOM 907 C PRO A 61 12.410 -4.324 3.426 1.00 32.10 C ATOM 908 O PRO A 61 12.924 -3.240 3.127 1.00 5.45 O ATOM 909 CB PRO A 61 13.285 -5.698 5.376 1.00 25.02 C ATOM 910 CG PRO A 61 12.585 -7.005 5.557 1.00 4.51 C ATOM 911 CD PRO A 61 11.140 -6.682 5.824 1.00 44.33 C ATOM 0 HA PRO A 61 12.233 -3.766 5.443 1.00 44.41 H new ATOM 0 HB2 PRO A 61 14.090 -5.783 4.646 1.00 25.02 H new ATOM 0 HB3 PRO A 61 13.735 -5.362 6.310 1.00 25.02 H new ATOM 0 HG2 PRO A 61 12.686 -7.626 4.667 1.00 4.51 H new ATOM 0 HG3 PRO A 61 13.017 -7.565 6.386 1.00 4.51 H new ATOM 0 HD2 PRO A 61 10.478 -7.468 5.459 1.00 44.33 H new ATOM 0 HD3 PRO A 61 10.944 -6.569 6.890 1.00 44.33 H new ATOM 919 N GLN A 62 12.010 -5.210 2.506 1.00 73.11 N ATOM 920 CA GLN A 62 12.059 -4.883 1.083 1.00 25.43 C ATOM 921 C GLN A 62 11.151 -3.690 0.763 1.00 13.33 C ATOM 922 O GLN A 62 11.515 -2.818 -0.034 1.00 74.40 O ATOM 923 CB GLN A 62 11.668 -6.090 0.224 1.00 63.03 C ATOM 924 CG GLN A 62 12.618 -7.272 0.370 1.00 20.30 C ATOM 925 CD GLN A 62 12.480 -8.278 -0.759 1.00 45.33 C ATOM 926 OE1 GLN A 62 13.120 -8.146 -1.805 1.00 71.43 O ATOM 927 NE2 GLN A 62 11.660 -9.297 -0.554 1.00 50.42 N ATOM 0 H GLN A 62 11.655 -6.142 2.719 1.00 73.11 H new ATOM 0 HA GLN A 62 13.087 -4.611 0.844 1.00 25.43 H new ATOM 0 HB2 GLN A 62 10.661 -6.408 0.494 1.00 63.03 H new ATOM 0 HB3 GLN A 62 11.636 -5.786 -0.822 1.00 63.03 H new ATOM 0 HG2 GLN A 62 13.644 -6.906 0.402 1.00 20.30 H new ATOM 0 HG3 GLN A 62 12.428 -7.770 1.321 1.00 20.30 H new ATOM 0 HE21 GLN A 62 11.148 -9.371 0.325 1.00 50.42 H new ATOM 0 HE22 GLN A 62 11.540 -10.008 -1.275 1.00 50.42 H new ATOM 936 N LEU A 63 9.980 -3.651 1.394 1.00 1.30 N ATOM 937 CA LEU A 63 9.029 -2.559 1.195 1.00 44.24 C ATOM 938 C LEU A 63 9.593 -1.262 1.762 1.00 32.14 C ATOM 939 O LEU A 63 9.393 -0.194 1.192 1.00 23.00 O ATOM 940 CB LEU A 63 7.674 -2.876 1.847 1.00 10.40 C ATOM 941 CG LEU A 63 6.868 -4.008 1.187 1.00 43.03 C ATOM 942 CD1 LEU A 63 5.563 -4.257 1.943 1.00 63.44 C ATOM 943 CD2 LEU A 63 6.596 -3.690 -0.284 1.00 32.41 C ATOM 0 H LEU A 63 9.666 -4.366 2.050 1.00 1.30 H new ATOM 0 HA LEU A 63 8.869 -2.442 0.123 1.00 44.24 H new ATOM 0 HB2 LEU A 63 7.846 -3.137 2.891 1.00 10.40 H new ATOM 0 HB3 LEU A 63 7.067 -1.971 1.841 1.00 10.40 H new ATOM 0 HG LEU A 63 7.462 -4.921 1.232 1.00 43.03 H new ATOM 0 HD11 LEU A 63 5.010 -5.061 1.458 1.00 63.44 H new ATOM 0 HD12 LEU A 63 5.787 -4.539 2.972 1.00 63.44 H new ATOM 0 HD13 LEU A 63 4.961 -3.348 1.938 1.00 63.44 H new ATOM 0 HD21 LEU A 63 6.025 -4.503 -0.732 1.00 32.41 H new ATOM 0 HD22 LEU A 63 6.027 -2.763 -0.357 1.00 32.41 H new ATOM 0 HD23 LEU A 63 7.542 -3.577 -0.813 1.00 32.41 H new ATOM 955 N GLU A 64 10.303 -1.365 2.886 1.00 32.03 N ATOM 956 CA GLU A 64 10.994 -0.215 3.464 1.00 42.33 C ATOM 957 C GLU A 64 11.998 0.333 2.458 1.00 31.11 C ATOM 958 O GLU A 64 12.046 1.535 2.201 1.00 43.32 O ATOM 959 CB GLU A 64 11.722 -0.599 4.760 1.00 71.22 C ATOM 960 CG GLU A 64 10.805 -1.071 5.883 1.00 33.24 C ATOM 961 CD GLU A 64 11.567 -1.335 7.174 1.00 1.12 C ATOM 962 OE1 GLU A 64 11.908 -0.359 7.874 1.00 52.14 O ATOM 963 OE2 GLU A 64 11.843 -2.510 7.489 1.00 31.13 O ATOM 0 H GLU A 64 10.414 -2.232 3.412 1.00 32.03 H new ATOM 0 HA GLU A 64 10.252 0.547 3.702 1.00 42.33 H new ATOM 0 HB2 GLU A 64 12.440 -1.388 4.538 1.00 71.22 H new ATOM 0 HB3 GLU A 64 12.292 0.261 5.111 1.00 71.22 H new ATOM 0 HG2 GLU A 64 10.037 -0.319 6.063 1.00 33.24 H new ATOM 0 HG3 GLU A 64 10.292 -1.982 5.573 1.00 33.24 H new ATOM 970 N LYS A 65 12.786 -0.572 1.881 1.00 24.30 N ATOM 971 CA LYS A 65 13.780 -0.217 0.872 1.00 35.52 C ATOM 972 C LYS A 65 13.125 0.537 -0.285 1.00 53.24 C ATOM 973 O LYS A 65 13.578 1.617 -0.674 1.00 50.31 O ATOM 974 CB LYS A 65 14.487 -1.485 0.362 1.00 22.23 C ATOM 975 CG LYS A 65 15.400 -1.257 -0.842 1.00 74.21 C ATOM 976 CD LYS A 65 16.247 -2.492 -1.158 1.00 51.44 C ATOM 977 CE LYS A 65 15.393 -3.701 -1.537 1.00 31.42 C ATOM 978 NZ LYS A 65 14.682 -3.507 -2.830 1.00 41.05 N ATOM 0 H LYS A 65 12.753 -1.568 2.099 1.00 24.30 H new ATOM 0 HA LYS A 65 14.523 0.439 1.326 1.00 35.52 H new ATOM 0 HB2 LYS A 65 15.077 -1.909 1.175 1.00 22.23 H new ATOM 0 HB3 LYS A 65 13.732 -2.225 0.096 1.00 22.23 H new ATOM 0 HG2 LYS A 65 14.796 -0.999 -1.712 1.00 74.21 H new ATOM 0 HG3 LYS A 65 16.055 -0.408 -0.645 1.00 74.21 H new ATOM 0 HD2 LYS A 65 16.930 -2.262 -1.976 1.00 51.44 H new ATOM 0 HD3 LYS A 65 16.860 -2.741 -0.292 1.00 51.44 H new ATOM 0 HE2 LYS A 65 16.027 -4.585 -1.603 1.00 31.42 H new ATOM 0 HE3 LYS A 65 14.664 -3.890 -0.749 1.00 31.42 H new ATOM 0 HZ1 LYS A 65 13.657 -3.604 -2.681 1.00 41.05 H new ATOM 0 HZ2 LYS A 65 14.890 -2.558 -3.201 1.00 41.05 H new ATOM 0 HZ3 LYS A 65 15.002 -4.223 -3.513 1.00 41.05 H new ATOM 992 N LEU A 66 12.047 -0.030 -0.818 1.00 30.53 N ATOM 993 CA LEU A 66 11.334 0.592 -1.928 1.00 44.02 C ATOM 994 C LEU A 66 10.705 1.915 -1.485 1.00 30.33 C ATOM 995 O LEU A 66 10.687 2.889 -2.236 1.00 64.41 O ATOM 996 CB LEU A 66 10.250 -0.344 -2.492 1.00 60.43 C ATOM 997 CG LEU A 66 10.732 -1.706 -3.017 1.00 54.44 C ATOM 998 CD1 LEU A 66 9.618 -2.382 -3.807 1.00 23.52 C ATOM 999 CD2 LEU A 66 11.992 -1.569 -3.864 1.00 1.13 C ATOM 0 H LEU A 66 11.650 -0.914 -0.501 1.00 30.53 H new ATOM 0 HA LEU A 66 12.058 0.789 -2.719 1.00 44.02 H new ATOM 0 HB2 LEU A 66 9.510 -0.521 -1.711 1.00 60.43 H new ATOM 0 HB3 LEU A 66 9.739 0.174 -3.304 1.00 60.43 H new ATOM 0 HG LEU A 66 10.987 -2.329 -2.160 1.00 54.44 H new ATOM 0 HD11 LEU A 66 9.967 -3.346 -4.176 1.00 23.52 H new ATOM 0 HD12 LEU A 66 8.753 -2.532 -3.161 1.00 23.52 H new ATOM 0 HD13 LEU A 66 9.336 -1.752 -4.650 1.00 23.52 H new ATOM 0 HD21 LEU A 66 12.302 -2.553 -4.217 1.00 1.13 H new ATOM 0 HD22 LEU A 66 11.787 -0.925 -4.719 1.00 1.13 H new ATOM 0 HD23 LEU A 66 12.789 -1.132 -3.263 1.00 1.13 H new ATOM 1011 N ALA A 67 10.215 1.944 -0.251 1.00 62.23 N ATOM 1012 CA ALA A 67 9.557 3.126 0.293 1.00 65.41 C ATOM 1013 C ALA A 67 10.545 4.274 0.438 1.00 45.34 C ATOM 1014 O ALA A 67 10.175 5.433 0.307 1.00 11.23 O ATOM 1015 CB ALA A 67 8.905 2.806 1.636 1.00 44.21 C ATOM 0 H ALA A 67 10.262 1.156 0.396 1.00 62.23 H new ATOM 0 HA ALA A 67 8.777 3.434 -0.404 1.00 65.41 H new ATOM 0 HB1 ALA A 67 8.419 3.700 2.027 1.00 44.21 H new ATOM 0 HB2 ALA A 67 8.163 2.019 1.502 1.00 44.21 H new ATOM 0 HB3 ALA A 67 9.667 2.470 2.340 1.00 44.21 H new ATOM 1021 N GLN A 68 11.806 3.942 0.710 1.00 13.41 N ATOM 1022 CA GLN A 68 12.860 4.947 0.835 1.00 15.45 C ATOM 1023 C GLN A 68 13.294 5.442 -0.542 1.00 31.31 C ATOM 1024 O GLN A 68 13.339 6.645 -0.798 1.00 21.51 O ATOM 1025 CB GLN A 68 14.069 4.368 1.583 1.00 65.23 C ATOM 1026 CG GLN A 68 13.775 3.967 3.022 1.00 15.13 C ATOM 1027 CD GLN A 68 14.995 3.416 3.738 1.00 1.35 C ATOM 1028 OE1 GLN A 68 15.260 2.213 3.713 1.00 1.30 O ATOM 1029 NE2 GLN A 68 15.749 4.294 4.381 1.00 33.31 N ATOM 0 H GLN A 68 12.123 2.982 0.848 1.00 13.41 H new ATOM 0 HA GLN A 68 12.462 5.788 1.403 1.00 15.45 H new ATOM 0 HB2 GLN A 68 14.434 3.496 1.041 1.00 65.23 H new ATOM 0 HB3 GLN A 68 14.872 5.105 1.579 1.00 65.23 H new ATOM 0 HG2 GLN A 68 13.400 4.833 3.567 1.00 15.13 H new ATOM 0 HG3 GLN A 68 12.984 3.217 3.031 1.00 15.13 H new ATOM 0 HE21 GLN A 68 15.496 5.282 4.378 1.00 33.31 H new ATOM 0 HE22 GLN A 68 16.583 3.982 4.879 1.00 33.31 H new ATOM 1038 N GLN A 69 13.594 4.497 -1.427 1.00 3.41 N ATOM 1039 CA GLN A 69 14.124 4.805 -2.758 1.00 22.01 C ATOM 1040 C GLN A 69 13.094 5.586 -3.585 1.00 3.23 C ATOM 1041 O GLN A 69 13.431 6.552 -4.274 1.00 43.31 O ATOM 1042 CB GLN A 69 14.516 3.488 -3.462 1.00 53.13 C ATOM 1043 CG GLN A 69 15.525 3.633 -4.605 1.00 74.43 C ATOM 1044 CD GLN A 69 14.938 4.234 -5.871 1.00 11.11 C ATOM 1045 OE1 GLN A 69 13.753 4.088 -6.149 1.00 1.32 O ATOM 1046 NE2 GLN A 69 15.774 4.888 -6.660 1.00 65.05 N ATOM 0 H GLN A 69 13.479 3.500 -1.247 1.00 3.41 H new ATOM 0 HA GLN A 69 15.009 5.434 -2.660 1.00 22.01 H new ATOM 0 HB2 GLN A 69 14.929 2.807 -2.718 1.00 53.13 H new ATOM 0 HB3 GLN A 69 13.612 3.022 -3.854 1.00 53.13 H new ATOM 0 HG2 GLN A 69 16.353 4.257 -4.269 1.00 74.43 H new ATOM 0 HG3 GLN A 69 15.939 2.652 -4.838 1.00 74.43 H new ATOM 0 HE21 GLN A 69 16.754 4.988 -6.394 1.00 65.05 H new ATOM 0 HE22 GLN A 69 15.439 5.292 -7.535 1.00 65.05 H new ATOM 1055 N TYR A 70 11.835 5.175 -3.481 1.00 21.34 N ATOM 1056 CA TYR A 70 10.746 5.733 -4.281 1.00 52.21 C ATOM 1057 C TYR A 70 9.938 6.778 -3.508 1.00 4.21 C ATOM 1058 O TYR A 70 8.925 7.263 -4.007 1.00 65.02 O ATOM 1059 CB TYR A 70 9.824 4.623 -4.792 1.00 1.25 C ATOM 1060 CG TYR A 70 10.506 3.634 -5.718 1.00 43.32 C ATOM 1061 CD1 TYR A 70 10.770 3.957 -7.047 1.00 43.41 C ATOM 1062 CD2 TYR A 70 10.889 2.379 -5.265 1.00 50.20 C ATOM 1063 CE1 TYR A 70 11.398 3.057 -7.890 1.00 33.21 C ATOM 1064 CE2 TYR A 70 11.515 1.478 -6.102 1.00 2.40 C ATOM 1065 CZ TYR A 70 11.767 1.819 -7.410 1.00 71.32 C ATOM 1066 OH TYR A 70 12.401 0.918 -8.240 1.00 72.53 O ATOM 0 H TYR A 70 11.538 4.442 -2.837 1.00 21.34 H new ATOM 0 HA TYR A 70 11.203 6.236 -5.133 1.00 52.21 H new ATOM 0 HB2 TYR A 70 9.414 4.083 -3.938 1.00 1.25 H new ATOM 0 HB3 TYR A 70 8.983 5.076 -5.317 1.00 1.25 H new ATOM 0 HD1 TYR A 70 10.480 4.926 -7.426 1.00 43.41 H new ATOM 0 HD2 TYR A 70 10.694 2.103 -4.239 1.00 50.20 H new ATOM 0 HE1 TYR A 70 11.598 3.323 -8.917 1.00 33.21 H new ATOM 0 HE2 TYR A 70 11.806 0.507 -5.730 1.00 2.40 H new ATOM 0 HH TYR A 70 11.862 0.781 -9.047 1.00 72.53 H new ATOM 1076 N THR A 71 10.382 7.119 -2.297 1.00 50.32 N ATOM 1077 CA THR A 71 9.593 7.948 -1.369 1.00 55.13 C ATOM 1078 C THR A 71 9.111 9.260 -2.007 1.00 14.43 C ATOM 1079 O THR A 71 8.163 9.877 -1.517 1.00 53.41 O ATOM 1080 CB THR A 71 10.412 8.301 -0.094 1.00 2.54 C ATOM 1081 OG1 THR A 71 9.576 8.956 0.877 1.00 4.44 O ATOM 1082 CG2 THR A 71 11.602 9.201 -0.424 1.00 40.34 C ATOM 0 H THR A 71 11.290 6.834 -1.929 1.00 50.32 H new ATOM 0 HA THR A 71 8.723 7.346 -1.107 1.00 55.13 H new ATOM 0 HB THR A 71 10.788 7.365 0.319 1.00 2.54 H new ATOM 0 HG1 THR A 71 10.106 9.170 1.673 1.00 4.44 H new ATOM 0 HG21 THR A 71 12.151 9.427 0.490 1.00 40.34 H new ATOM 0 HG22 THR A 71 12.261 8.690 -1.126 1.00 40.34 H new ATOM 0 HG23 THR A 71 11.244 10.128 -0.871 1.00 40.34 H new ATOM 1090 N GLU A 72 9.752 9.680 -3.095 1.00 52.40 N ATOM 1091 CA GLU A 72 9.363 10.909 -3.784 1.00 3.13 C ATOM 1092 C GLU A 72 7.979 10.763 -4.427 1.00 62.14 C ATOM 1093 O GLU A 72 7.207 11.723 -4.491 1.00 64.10 O ATOM 1094 CB GLU A 72 10.405 11.284 -4.850 1.00 33.21 C ATOM 1095 CG GLU A 72 11.809 11.477 -4.289 1.00 14.31 C ATOM 1096 CD GLU A 72 12.792 12.020 -5.317 1.00 24.44 C ATOM 1097 OE1 GLU A 72 13.150 11.280 -6.252 1.00 61.32 O ATOM 1098 OE2 GLU A 72 13.219 13.192 -5.189 1.00 23.22 O ATOM 0 H GLU A 72 10.540 9.190 -3.518 1.00 52.40 H new ATOM 0 HA GLU A 72 9.315 11.708 -3.044 1.00 3.13 H new ATOM 0 HB2 GLU A 72 10.431 10.504 -5.611 1.00 33.21 H new ATOM 0 HB3 GLU A 72 10.091 12.203 -5.346 1.00 33.21 H new ATOM 0 HG2 GLU A 72 11.764 12.160 -3.441 1.00 14.31 H new ATOM 0 HG3 GLU A 72 12.177 10.523 -3.911 1.00 14.31 H new ATOM 1105 N ASN A 73 7.667 9.552 -4.890 1.00 44.21 N ATOM 1106 CA ASN A 73 6.414 9.288 -5.612 1.00 5.02 C ATOM 1107 C ASN A 73 5.622 8.134 -4.988 1.00 31.30 C ATOM 1108 O ASN A 73 4.510 7.839 -5.427 1.00 63.22 O ATOM 1109 CB ASN A 73 6.705 8.965 -7.093 1.00 11.35 C ATOM 1110 CG ASN A 73 7.248 10.152 -7.873 1.00 23.30 C ATOM 1111 OD1 ASN A 73 6.901 11.300 -7.604 1.00 65.25 O ATOM 1112 ND2 ASN A 73 8.107 9.884 -8.848 1.00 31.44 N ATOM 0 H ASN A 73 8.265 8.733 -4.779 1.00 44.21 H new ATOM 0 HA ASN A 73 5.809 10.192 -5.541 1.00 5.02 H new ATOM 0 HB2 ASN A 73 7.423 8.146 -7.145 1.00 11.35 H new ATOM 0 HB3 ASN A 73 5.788 8.616 -7.568 1.00 11.35 H new ATOM 0 HD21 ASN A 73 8.502 10.643 -9.403 1.00 31.44 H new ATOM 0 HD22 ASN A 73 8.372 8.919 -9.043 1.00 31.44 H new ATOM 1119 N VAL A 74 6.187 7.480 -3.973 1.00 11.32 N ATOM 1120 CA VAL A 74 5.564 6.294 -3.376 1.00 64.40 C ATOM 1121 C VAL A 74 5.277 6.494 -1.889 1.00 72.22 C ATOM 1122 O VAL A 74 6.096 7.052 -1.154 1.00 51.04 O ATOM 1123 CB VAL A 74 6.456 5.039 -3.579 1.00 22.32 C ATOM 1124 CG1 VAL A 74 5.988 3.858 -2.732 1.00 43.11 C ATOM 1125 CG2 VAL A 74 6.491 4.653 -5.054 1.00 53.50 C ATOM 0 H VAL A 74 7.073 7.749 -3.546 1.00 11.32 H new ATOM 0 HA VAL A 74 4.613 6.140 -3.887 1.00 64.40 H new ATOM 0 HB VAL A 74 7.463 5.295 -3.248 1.00 22.32 H new ATOM 0 HG11 VAL A 74 6.641 3.003 -2.907 1.00 43.11 H new ATOM 0 HG12 VAL A 74 6.022 4.131 -1.677 1.00 43.11 H new ATOM 0 HG13 VAL A 74 4.966 3.596 -3.006 1.00 43.11 H new ATOM 0 HG21 VAL A 74 7.119 3.772 -5.185 1.00 53.50 H new ATOM 0 HG22 VAL A 74 5.480 4.432 -5.396 1.00 53.50 H new ATOM 0 HG23 VAL A 74 6.899 5.479 -5.637 1.00 53.50 H new ATOM 1135 N LYS A 75 4.106 6.025 -1.458 1.00 21.44 N ATOM 1136 CA LYS A 75 3.675 6.132 -0.067 1.00 45.41 C ATOM 1137 C LYS A 75 2.908 4.867 0.339 1.00 12.41 C ATOM 1138 O LYS A 75 1.907 4.527 -0.286 1.00 12.53 O ATOM 1139 CB LYS A 75 2.779 7.373 0.091 1.00 74.03 C ATOM 1140 CG LYS A 75 2.331 7.661 1.522 1.00 52.22 C ATOM 1141 CD LYS A 75 3.496 8.056 2.427 1.00 60.11 C ATOM 1142 CE LYS A 75 3.018 8.462 3.818 1.00 60.45 C ATOM 1143 NZ LYS A 75 2.086 9.621 3.775 1.00 20.30 N ATOM 0 H LYS A 75 3.430 5.560 -2.065 1.00 21.44 H new ATOM 0 HA LYS A 75 4.546 6.233 0.581 1.00 45.41 H new ATOM 0 HB2 LYS A 75 3.316 8.242 -0.289 1.00 74.03 H new ATOM 0 HB3 LYS A 75 1.894 7.247 -0.533 1.00 74.03 H new ATOM 0 HG2 LYS A 75 1.592 8.462 1.514 1.00 52.22 H new ATOM 0 HG3 LYS A 75 1.840 6.778 1.931 1.00 52.22 H new ATOM 0 HD2 LYS A 75 4.191 7.221 2.511 1.00 60.11 H new ATOM 0 HD3 LYS A 75 4.044 8.883 1.975 1.00 60.11 H new ATOM 0 HE2 LYS A 75 2.521 7.615 4.291 1.00 60.45 H new ATOM 0 HE3 LYS A 75 3.879 8.713 4.438 1.00 60.45 H new ATOM 0 HZ1 LYS A 75 1.987 10.022 4.729 1.00 20.30 H new ATOM 0 HZ2 LYS A 75 2.463 10.346 3.132 1.00 20.30 H new ATOM 0 HZ3 LYS A 75 1.156 9.306 3.433 1.00 20.30 H new ATOM 1157 N ILE A 76 3.380 4.165 1.374 1.00 53.03 N ATOM 1158 CA ILE A 76 2.744 2.914 1.809 1.00 5.05 C ATOM 1159 C ILE A 76 2.076 3.079 3.177 1.00 5.23 C ATOM 1160 O ILE A 76 2.578 3.804 4.048 1.00 2.11 O ATOM 1161 CB ILE A 76 3.756 1.736 1.867 1.00 34.12 C ATOM 1162 CG1 ILE A 76 4.521 1.621 0.534 1.00 73.40 C ATOM 1163 CG2 ILE A 76 3.040 0.419 2.185 1.00 45.32 C ATOM 1164 CD1 ILE A 76 5.574 0.531 0.514 1.00 50.22 C ATOM 0 H ILE A 76 4.195 4.438 1.924 1.00 53.03 H new ATOM 0 HA ILE A 76 1.984 2.678 1.064 1.00 5.05 H new ATOM 0 HB ILE A 76 4.470 1.938 2.665 1.00 34.12 H new ATOM 0 HG12 ILE A 76 3.806 1.435 -0.267 1.00 73.40 H new ATOM 0 HG13 ILE A 76 4.999 2.577 0.319 1.00 73.40 H new ATOM 0 HG21 ILE A 76 3.768 -0.392 2.221 1.00 45.32 H new ATOM 0 HG22 ILE A 76 2.540 0.500 3.150 1.00 45.32 H new ATOM 0 HG23 ILE A 76 2.302 0.210 1.411 1.00 45.32 H new ATOM 0 HD11 ILE A 76 6.065 0.517 -0.459 1.00 50.22 H new ATOM 0 HD12 ILE A 76 6.313 0.725 1.291 1.00 50.22 H new ATOM 0 HD13 ILE A 76 5.102 -0.434 0.696 1.00 50.22 H new ATOM 1176 N TYR A 77 0.944 2.400 3.349 1.00 63.41 N ATOM 1177 CA TYR A 77 0.148 2.464 4.572 1.00 31.31 C ATOM 1178 C TYR A 77 -0.191 1.052 5.057 1.00 61.23 C ATOM 1179 O TYR A 77 -0.555 0.192 4.255 1.00 20.12 O ATOM 1180 CB TYR A 77 -1.163 3.234 4.317 1.00 44.33 C ATOM 1181 CG TYR A 77 -0.976 4.678 3.885 1.00 5.12 C ATOM 1182 CD1 TYR A 77 -0.712 5.666 4.821 1.00 4.20 C ATOM 1183 CD2 TYR A 77 -1.068 5.053 2.548 1.00 75.25 C ATOM 1184 CE1 TYR A 77 -0.541 6.981 4.446 1.00 23.43 C ATOM 1185 CE2 TYR A 77 -0.898 6.371 2.165 1.00 52.41 C ATOM 1186 CZ TYR A 77 -0.635 7.330 3.120 1.00 21.13 C ATOM 1187 OH TYR A 77 -0.454 8.644 2.748 1.00 73.52 O ATOM 0 H TYR A 77 0.550 1.785 2.637 1.00 63.41 H new ATOM 0 HA TYR A 77 0.732 2.982 5.333 1.00 31.31 H new ATOM 0 HB2 TYR A 77 -1.733 2.710 3.550 1.00 44.33 H new ATOM 0 HB3 TYR A 77 -1.762 3.216 5.227 1.00 44.33 H new ATOM 0 HD1 TYR A 77 -0.639 5.400 5.865 1.00 4.20 H new ATOM 0 HD2 TYR A 77 -1.275 4.304 1.798 1.00 75.25 H new ATOM 0 HE1 TYR A 77 -0.334 7.735 5.191 1.00 23.43 H new ATOM 0 HE2 TYR A 77 -0.971 6.648 1.124 1.00 52.41 H new ATOM 0 HH TYR A 77 -1.323 9.049 2.543 1.00 73.52 H new ATOM 1197 N LYS A 78 -0.066 0.821 6.360 1.00 54.14 N ATOM 1198 CA LYS A 78 -0.490 -0.436 6.972 1.00 13.15 C ATOM 1199 C LYS A 78 -1.750 -0.204 7.793 1.00 24.13 C ATOM 1200 O LYS A 78 -1.833 0.765 8.557 1.00 64.22 O ATOM 1201 CB LYS A 78 0.596 -1.014 7.899 1.00 13.11 C ATOM 1202 CG LYS A 78 1.919 -1.329 7.211 1.00 1.31 C ATOM 1203 CD LYS A 78 2.934 -1.943 8.179 1.00 43.20 C ATOM 1204 CE LYS A 78 2.584 -3.384 8.555 1.00 25.42 C ATOM 1205 NZ LYS A 78 2.906 -4.339 7.461 1.00 53.20 N ATOM 0 H LYS A 78 0.329 1.493 7.018 1.00 54.14 H new ATOM 0 HA LYS A 78 -0.676 -1.147 6.167 1.00 13.15 H new ATOM 0 HB2 LYS A 78 0.781 -0.304 8.705 1.00 13.11 H new ATOM 0 HB3 LYS A 78 0.215 -1.926 8.358 1.00 13.11 H new ATOM 0 HG2 LYS A 78 1.743 -2.017 6.384 1.00 1.31 H new ATOM 0 HG3 LYS A 78 2.332 -0.416 6.783 1.00 1.31 H new ATOM 0 HD2 LYS A 78 3.925 -1.919 7.725 1.00 43.20 H new ATOM 0 HD3 LYS A 78 2.983 -1.336 9.083 1.00 43.20 H new ATOM 0 HE2 LYS A 78 3.130 -3.667 9.455 1.00 25.42 H new ATOM 0 HE3 LYS A 78 1.522 -3.449 8.792 1.00 25.42 H new ATOM 0 HZ1 LYS A 78 2.316 -5.190 7.558 1.00 53.20 H new ATOM 0 HZ2 LYS A 78 2.718 -3.890 6.542 1.00 53.20 H new ATOM 0 HZ3 LYS A 78 3.910 -4.605 7.517 1.00 53.20 H new ATOM 1219 N ILE A 79 -2.731 -1.082 7.638 1.00 24.44 N ATOM 1220 CA ILE A 79 -3.907 -1.054 8.494 1.00 55.13 C ATOM 1221 C ILE A 79 -3.522 -1.579 9.878 1.00 3.51 C ATOM 1222 O ILE A 79 -3.305 -2.778 10.056 1.00 71.34 O ATOM 1223 CB ILE A 79 -5.073 -1.886 7.897 1.00 33.41 C ATOM 1224 CG1 ILE A 79 -5.479 -1.315 6.524 1.00 45.24 C ATOM 1225 CG2 ILE A 79 -6.270 -1.908 8.852 1.00 42.54 C ATOM 1226 CD1 ILE A 79 -6.626 -2.049 5.859 1.00 31.21 C ATOM 0 H ILE A 79 -2.736 -1.818 6.932 1.00 24.44 H new ATOM 0 HA ILE A 79 -4.260 -0.026 8.572 1.00 55.13 H new ATOM 0 HB ILE A 79 -4.735 -2.913 7.762 1.00 33.41 H new ATOM 0 HG12 ILE A 79 -5.755 -0.268 6.646 1.00 45.24 H new ATOM 0 HG13 ILE A 79 -4.613 -1.341 5.862 1.00 45.24 H new ATOM 0 HG21 ILE A 79 -7.075 -2.497 8.413 1.00 42.54 H new ATOM 0 HG22 ILE A 79 -5.970 -2.354 9.801 1.00 42.54 H new ATOM 0 HG23 ILE A 79 -6.617 -0.889 9.023 1.00 42.54 H new ATOM 0 HD11 ILE A 79 -6.848 -1.584 4.899 1.00 31.21 H new ATOM 0 HD12 ILE A 79 -6.348 -3.091 5.702 1.00 31.21 H new ATOM 0 HD13 ILE A 79 -7.508 -2.001 6.498 1.00 31.21 H new ATOM 1238 N ASN A 80 -3.390 -0.664 10.838 1.00 43.32 N ATOM 1239 CA ASN A 80 -2.887 -0.992 12.177 1.00 33.31 C ATOM 1240 C ASN A 80 -4.025 -1.167 13.180 1.00 72.33 C ATOM 1241 O ASN A 80 -3.983 -2.057 14.030 1.00 33.12 O ATOM 1242 CB ASN A 80 -1.933 0.114 12.661 1.00 42.20 C ATOM 1243 CG ASN A 80 -1.449 -0.092 14.092 1.00 1.30 C ATOM 1244 OD1 ASN A 80 -2.081 0.358 15.047 1.00 54.14 O ATOM 1245 ND2 ASN A 80 -0.312 -0.754 14.248 1.00 24.14 N ATOM 0 H ASN A 80 -3.626 0.320 10.714 1.00 43.32 H new ATOM 0 HA ASN A 80 -2.352 -1.939 12.110 1.00 33.31 H new ATOM 0 HB2 ASN A 80 -1.071 0.157 11.996 1.00 42.20 H new ATOM 0 HB3 ASN A 80 -2.439 1.077 12.591 1.00 42.20 H new ATOM 0 HD21 ASN A 80 0.066 -0.905 15.183 1.00 24.14 H new ATOM 0 HD22 ASN A 80 0.185 -1.113 13.433 1.00 24.14 H new ATOM 1252 N ILE A 81 -5.039 -0.317 13.079 1.00 45.33 N ATOM 1253 CA ILE A 81 -6.121 -0.308 14.057 1.00 15.43 C ATOM 1254 C ILE A 81 -7.121 -1.434 13.776 1.00 4.33 C ATOM 1255 O ILE A 81 -7.927 -1.345 12.845 1.00 13.31 O ATOM 1256 CB ILE A 81 -6.864 1.052 14.076 1.00 24.50 C ATOM 1257 CG1 ILE A 81 -5.862 2.221 14.119 1.00 62.12 C ATOM 1258 CG2 ILE A 81 -7.816 1.123 15.270 1.00 13.51 C ATOM 1259 CD1 ILE A 81 -4.938 2.204 15.321 1.00 11.21 C ATOM 0 H ILE A 81 -5.135 0.372 12.334 1.00 45.33 H new ATOM 0 HA ILE A 81 -5.667 -0.466 15.035 1.00 15.43 H new ATOM 0 HB ILE A 81 -7.448 1.135 13.159 1.00 24.50 H new ATOM 0 HG12 ILE A 81 -5.259 2.202 13.211 1.00 62.12 H new ATOM 0 HG13 ILE A 81 -6.416 3.160 14.114 1.00 62.12 H new ATOM 0 HG21 ILE A 81 -8.330 2.084 15.269 1.00 13.51 H new ATOM 0 HG22 ILE A 81 -8.549 0.319 15.199 1.00 13.51 H new ATOM 0 HG23 ILE A 81 -7.249 1.016 16.195 1.00 13.51 H new ATOM 0 HD11 ILE A 81 -4.265 3.060 15.275 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -5.529 2.256 16.235 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -4.355 1.283 15.318 1.00 11.21 H new ATOM 1271 N GLU A 82 -7.062 -2.481 14.599 1.00 54.42 N ATOM 1272 CA GLU A 82 -7.927 -3.654 14.448 1.00 75.23 C ATOM 1273 C GLU A 82 -9.414 -3.287 14.541 1.00 31.21 C ATOM 1274 O GLU A 82 -10.266 -3.977 13.983 1.00 24.33 O ATOM 1275 CB GLU A 82 -7.564 -4.744 15.485 1.00 54.24 C ATOM 1276 CG GLU A 82 -7.116 -4.220 16.853 1.00 2.24 C ATOM 1277 CD GLU A 82 -8.142 -3.321 17.528 1.00 13.25 C ATOM 1278 OE1 GLU A 82 -9.084 -3.846 18.161 1.00 32.24 O ATOM 1279 OE2 GLU A 82 -8.007 -2.083 17.427 1.00 53.25 O ATOM 0 H GLU A 82 -6.416 -2.541 15.386 1.00 54.42 H new ATOM 0 HA GLU A 82 -7.754 -4.056 13.450 1.00 75.23 H new ATOM 0 HB2 GLU A 82 -8.430 -5.390 15.627 1.00 54.24 H new ATOM 0 HB3 GLU A 82 -6.768 -5.364 15.073 1.00 54.24 H new ATOM 0 HG2 GLU A 82 -6.903 -5.067 17.505 1.00 2.24 H new ATOM 0 HG3 GLU A 82 -6.184 -3.667 16.733 1.00 2.24 H new ATOM 1286 N ASP A 83 -9.715 -2.183 15.214 1.00 3.13 N ATOM 1287 CA ASP A 83 -11.099 -1.734 15.389 1.00 54.34 C ATOM 1288 C ASP A 83 -11.665 -1.207 14.070 1.00 31.52 C ATOM 1289 O ASP A 83 -12.850 -0.892 13.967 1.00 24.13 O ATOM 1290 CB ASP A 83 -11.157 -0.639 16.467 1.00 44.21 C ATOM 1291 CG ASP A 83 -12.576 -0.171 16.779 1.00 22.45 C ATOM 1292 OD1 ASP A 83 -13.348 -0.967 17.359 1.00 1.30 O ATOM 1293 OD2 ASP A 83 -12.910 1.000 16.477 1.00 3.32 O ATOM 0 H ASP A 83 -9.020 -1.578 15.650 1.00 3.13 H new ATOM 0 HA ASP A 83 -11.705 -2.582 15.707 1.00 54.34 H new ATOM 0 HB2 ASP A 83 -10.697 -1.014 17.381 1.00 44.21 H new ATOM 0 HB3 ASP A 83 -10.564 0.215 16.139 1.00 44.21 H new ATOM 1298 N ASN A 84 -10.810 -1.144 13.053 1.00 12.24 N ATOM 1299 CA ASN A 84 -11.184 -0.593 11.757 1.00 11.14 C ATOM 1300 C ASN A 84 -10.922 -1.599 10.633 1.00 34.33 C ATOM 1301 O ASN A 84 -10.686 -1.219 9.486 1.00 24.35 O ATOM 1302 CB ASN A 84 -10.415 0.714 11.516 1.00 34.21 C ATOM 1303 CG ASN A 84 -10.903 1.848 12.408 1.00 23.04 C ATOM 1304 OD1 ASN A 84 -11.732 2.659 12.003 1.00 14.54 O ATOM 1305 ND2 ASN A 84 -10.414 1.897 13.636 1.00 44.54 N ATOM 0 H ASN A 84 -9.845 -1.471 13.104 1.00 12.24 H new ATOM 0 HA ASN A 84 -12.253 -0.381 11.759 1.00 11.14 H new ATOM 0 HB2 ASN A 84 -9.353 0.546 11.695 1.00 34.21 H new ATOM 0 HB3 ASN A 84 -10.520 1.007 10.471 1.00 34.21 H new ATOM 0 HD21 ASN A 84 -10.724 2.625 14.280 1.00 44.54 H new ATOM 0 HD22 ASN A 84 -9.727 1.207 13.939 1.00 44.54 H new ATOM 1312 N GLN A 85 -11.002 -2.891 10.963 1.00 64.25 N ATOM 1313 CA GLN A 85 -10.838 -3.962 9.972 1.00 40.24 C ATOM 1314 C GLN A 85 -12.019 -3.991 8.998 1.00 31.20 C ATOM 1315 O GLN A 85 -12.002 -4.730 8.009 1.00 11.21 O ATOM 1316 CB GLN A 85 -10.682 -5.327 10.667 1.00 41.15 C ATOM 1317 CG GLN A 85 -9.294 -5.556 11.256 1.00 45.21 C ATOM 1318 CD GLN A 85 -9.211 -6.794 12.137 1.00 22.34 C ATOM 1319 OE1 GLN A 85 -8.928 -7.895 11.666 1.00 41.13 O ATOM 1320 NE2 GLN A 85 -9.465 -6.625 13.426 1.00 55.03 N ATOM 0 H GLN A 85 -11.180 -3.223 11.911 1.00 64.25 H new ATOM 0 HA GLN A 85 -9.931 -3.758 9.403 1.00 40.24 H new ATOM 0 HB2 GLN A 85 -11.423 -5.407 11.462 1.00 41.15 H new ATOM 0 HB3 GLN A 85 -10.898 -6.118 9.949 1.00 41.15 H new ATOM 0 HG2 GLN A 85 -8.573 -5.647 10.444 1.00 45.21 H new ATOM 0 HG3 GLN A 85 -9.006 -4.682 11.841 1.00 45.21 H new ATOM 0 HE21 GLN A 85 -9.696 -5.698 13.783 1.00 55.03 H new ATOM 0 HE22 GLN A 85 -9.429 -7.422 14.062 1.00 55.03 H new ATOM 1329 N ASP A 86 -13.038 -3.179 9.288 1.00 13.13 N ATOM 1330 CA ASP A 86 -14.197 -3.007 8.402 1.00 1.50 C ATOM 1331 C ASP A 86 -13.750 -2.786 6.954 1.00 23.42 C ATOM 1332 O ASP A 86 -14.353 -3.317 6.017 1.00 0.30 O ATOM 1333 CB ASP A 86 -15.044 -1.817 8.882 1.00 10.22 C ATOM 1334 CG ASP A 86 -16.231 -1.524 7.973 1.00 71.30 C ATOM 1335 OD1 ASP A 86 -16.077 -0.727 7.022 1.00 63.31 O ATOM 1336 OD2 ASP A 86 -17.326 -2.078 8.215 1.00 21.43 O ATOM 0 H ASP A 86 -13.085 -2.622 10.141 1.00 13.13 H new ATOM 0 HA ASP A 86 -14.798 -3.916 8.436 1.00 1.50 H new ATOM 0 HB2 ASP A 86 -15.407 -2.020 9.890 1.00 10.22 H new ATOM 0 HB3 ASP A 86 -14.413 -0.930 8.943 1.00 10.22 H new ATOM 1341 N VAL A 87 -12.666 -2.027 6.793 1.00 12.13 N ATOM 1342 CA VAL A 87 -12.093 -1.741 5.476 1.00 4.12 C ATOM 1343 C VAL A 87 -11.831 -3.038 4.700 1.00 34.51 C ATOM 1344 O VAL A 87 -12.115 -3.138 3.495 1.00 24.45 O ATOM 1345 CB VAL A 87 -10.764 -0.950 5.621 1.00 32.33 C ATOM 1346 CG1 VAL A 87 -10.166 -0.618 4.257 1.00 21.14 C ATOM 1347 CG2 VAL A 87 -10.979 0.318 6.445 1.00 15.31 C ATOM 0 H VAL A 87 -12.162 -1.595 7.567 1.00 12.13 H new ATOM 0 HA VAL A 87 -12.814 -1.138 4.924 1.00 4.12 H new ATOM 0 HB VAL A 87 -10.052 -1.585 6.149 1.00 32.33 H new ATOM 0 HG11 VAL A 87 -9.237 -0.064 4.392 1.00 21.14 H new ATOM 0 HG12 VAL A 87 -9.963 -1.541 3.714 1.00 21.14 H new ATOM 0 HG13 VAL A 87 -10.871 -0.011 3.689 1.00 21.14 H new ATOM 0 HG21 VAL A 87 -10.036 0.858 6.535 1.00 15.31 H new ATOM 0 HG22 VAL A 87 -11.715 0.953 5.951 1.00 15.31 H new ATOM 0 HG23 VAL A 87 -11.340 0.050 7.438 1.00 15.31 H new ATOM 1357 N ALA A 88 -11.315 -4.041 5.411 1.00 72.13 N ATOM 1358 CA ALA A 88 -10.982 -5.327 4.807 1.00 70.12 C ATOM 1359 C ALA A 88 -12.230 -5.981 4.220 1.00 64.14 C ATOM 1360 O ALA A 88 -12.198 -6.535 3.117 1.00 12.04 O ATOM 1361 CB ALA A 88 -10.323 -6.241 5.839 1.00 52.42 C ATOM 0 H ALA A 88 -11.119 -3.985 6.410 1.00 72.13 H new ATOM 0 HA ALA A 88 -10.274 -5.160 3.995 1.00 70.12 H new ATOM 0 HB1 ALA A 88 -10.080 -7.197 5.376 1.00 52.42 H new ATOM 0 HB2 ALA A 88 -9.410 -5.774 6.208 1.00 52.42 H new ATOM 0 HB3 ALA A 88 -11.009 -6.405 6.670 1.00 52.42 H new ATOM 1367 N THR A 89 -13.331 -5.889 4.958 1.00 33.33 N ATOM 1368 CA THR A 89 -14.604 -6.445 4.520 1.00 2.53 C ATOM 1369 C THR A 89 -15.159 -5.645 3.337 1.00 75.44 C ATOM 1370 O THR A 89 -15.719 -6.215 2.397 1.00 3.44 O ATOM 1371 CB THR A 89 -15.629 -6.446 5.677 1.00 11.34 C ATOM 1372 OG1 THR A 89 -15.056 -7.073 6.836 1.00 41.03 O ATOM 1373 CG2 THR A 89 -16.909 -7.179 5.283 1.00 71.43 C ATOM 0 H THR A 89 -13.366 -5.431 5.869 1.00 33.33 H new ATOM 0 HA THR A 89 -14.432 -7.474 4.204 1.00 2.53 H new ATOM 0 HB THR A 89 -15.882 -5.410 5.903 1.00 11.34 H new ATOM 0 HG1 THR A 89 -15.709 -7.069 7.567 1.00 41.03 H new ATOM 0 HG21 THR A 89 -17.610 -7.162 6.118 1.00 71.43 H new ATOM 0 HG22 THR A 89 -17.360 -6.687 4.421 1.00 71.43 H new ATOM 0 HG23 THR A 89 -16.673 -8.212 5.028 1.00 71.43 H new ATOM 1381 N GLN A 90 -14.974 -4.328 3.386 1.00 51.33 N ATOM 1382 CA GLN A 90 -15.437 -3.434 2.326 1.00 0.24 C ATOM 1383 C GLN A 90 -14.817 -3.814 0.987 1.00 75.22 C ATOM 1384 O GLN A 90 -15.528 -3.994 -0.005 1.00 70.22 O ATOM 1385 CB GLN A 90 -15.100 -1.978 2.675 1.00 61.15 C ATOM 1386 CG GLN A 90 -15.859 -1.449 3.886 1.00 54.12 C ATOM 1387 CD GLN A 90 -17.318 -1.130 3.593 1.00 72.53 C ATOM 1388 OE1 GLN A 90 -17.943 -1.724 2.709 1.00 35.21 O ATOM 1389 NE2 GLN A 90 -17.875 -0.196 4.347 1.00 20.22 N ATOM 0 H GLN A 90 -14.503 -3.852 4.155 1.00 51.33 H new ATOM 0 HA GLN A 90 -16.519 -3.535 2.241 1.00 0.24 H new ATOM 0 HB2 GLN A 90 -14.030 -1.897 2.864 1.00 61.15 H new ATOM 0 HB3 GLN A 90 -15.321 -1.347 1.814 1.00 61.15 H new ATOM 0 HG2 GLN A 90 -15.810 -2.187 4.687 1.00 54.12 H new ATOM 0 HG3 GLN A 90 -15.364 -0.549 4.251 1.00 54.12 H new ATOM 0 HE21 GLN A 90 -17.326 0.272 5.068 1.00 20.22 H new ATOM 0 HE22 GLN A 90 -18.854 0.055 4.208 1.00 20.22 H new ATOM 1398 N TYR A 91 -13.491 -3.943 0.957 1.00 62.54 N ATOM 1399 CA TYR A 91 -12.798 -4.332 -0.274 1.00 74.32 C ATOM 1400 C TYR A 91 -12.937 -5.828 -0.536 1.00 54.35 C ATOM 1401 O TYR A 91 -12.877 -6.273 -1.683 1.00 21.30 O ATOM 1402 CB TYR A 91 -11.318 -3.937 -0.221 1.00 72.11 C ATOM 1403 CG TYR A 91 -11.100 -2.436 -0.260 1.00 64.10 C ATOM 1404 CD1 TYR A 91 -11.213 -1.725 -1.455 1.00 74.02 C ATOM 1405 CD2 TYR A 91 -10.797 -1.729 0.895 1.00 62.42 C ATOM 1406 CE1 TYR A 91 -11.025 -0.357 -1.492 1.00 72.01 C ATOM 1407 CE2 TYR A 91 -10.611 -0.360 0.865 1.00 55.51 C ATOM 1408 CZ TYR A 91 -10.725 0.321 -0.330 1.00 52.24 C ATOM 1409 OH TYR A 91 -10.542 1.684 -0.363 1.00 52.11 O ATOM 0 H TYR A 91 -12.880 -3.787 1.759 1.00 62.54 H new ATOM 0 HA TYR A 91 -13.269 -3.796 -1.098 1.00 74.32 H new ATOM 0 HB2 TYR A 91 -10.873 -4.339 0.689 1.00 72.11 H new ATOM 0 HB3 TYR A 91 -10.796 -4.396 -1.060 1.00 72.11 H new ATOM 0 HD1 TYR A 91 -11.451 -2.253 -2.366 1.00 74.02 H new ATOM 0 HD2 TYR A 91 -10.705 -2.257 1.833 1.00 62.42 H new ATOM 0 HE1 TYR A 91 -11.113 0.178 -2.426 1.00 72.01 H new ATOM 0 HE2 TYR A 91 -10.377 0.175 1.774 1.00 55.51 H new ATOM 0 HH TYR A 91 -9.703 1.913 0.090 1.00 52.11 H new ATOM 1419 N GLY A 92 -13.142 -6.600 0.525 1.00 20.50 N ATOM 1420 CA GLY A 92 -13.261 -8.038 0.379 1.00 34.04 C ATOM 1421 C GLY A 92 -11.916 -8.668 0.091 1.00 71.05 C ATOM 1422 O GLY A 92 -11.758 -9.419 -0.877 1.00 3.44 O ATOM 0 H GLY A 92 -13.228 -6.257 1.482 1.00 20.50 H new ATOM 0 HA2 GLY A 92 -13.679 -8.466 1.290 1.00 34.04 H new ATOM 0 HA3 GLY A 92 -13.955 -8.269 -0.429 1.00 34.04 H new ATOM 1426 N VAL A 93 -10.945 -8.341 0.935 1.00 42.24 N ATOM 1427 CA VAL A 93 -9.576 -8.818 0.777 1.00 2.34 C ATOM 1428 C VAL A 93 -9.512 -10.354 0.812 1.00 45.12 C ATOM 1429 O VAL A 93 -10.160 -10.997 1.643 1.00 63.24 O ATOM 1430 CB VAL A 93 -8.658 -8.204 1.862 1.00 71.14 C ATOM 1431 CG1 VAL A 93 -9.175 -8.505 3.263 1.00 63.40 C ATOM 1432 CG2 VAL A 93 -7.221 -8.681 1.700 1.00 64.52 C ATOM 0 H VAL A 93 -11.084 -7.739 1.747 1.00 42.24 H new ATOM 0 HA VAL A 93 -9.219 -8.495 -0.201 1.00 2.34 H new ATOM 0 HB VAL A 93 -8.672 -7.122 1.728 1.00 71.14 H new ATOM 0 HG11 VAL A 93 -8.507 -8.060 4.001 1.00 63.40 H new ATOM 0 HG12 VAL A 93 -10.175 -8.087 3.379 1.00 63.40 H new ATOM 0 HG13 VAL A 93 -9.213 -9.584 3.413 1.00 63.40 H new ATOM 0 HG21 VAL A 93 -6.599 -8.234 2.476 1.00 64.52 H new ATOM 0 HG22 VAL A 93 -7.186 -9.767 1.788 1.00 64.52 H new ATOM 0 HG23 VAL A 93 -6.848 -8.385 0.720 1.00 64.52 H new ATOM 1442 N SER A 94 -8.739 -10.926 -0.113 1.00 51.23 N ATOM 1443 CA SER A 94 -8.668 -12.377 -0.295 1.00 14.33 C ATOM 1444 C SER A 94 -7.958 -13.066 0.875 1.00 73.00 C ATOM 1445 O SER A 94 -8.356 -14.155 1.294 1.00 43.42 O ATOM 1446 CB SER A 94 -7.948 -12.700 -1.618 1.00 21.11 C ATOM 1447 OG SER A 94 -7.980 -14.091 -1.920 1.00 71.33 O ATOM 0 H SER A 94 -8.147 -10.399 -0.755 1.00 51.23 H new ATOM 0 HA SER A 94 -9.688 -12.760 -0.329 1.00 14.33 H new ATOM 0 HB2 SER A 94 -8.415 -12.142 -2.430 1.00 21.11 H new ATOM 0 HB3 SER A 94 -6.912 -12.367 -1.557 1.00 21.11 H new ATOM 0 HG SER A 94 -7.514 -14.253 -2.767 1.00 71.33 H new ATOM 1453 N ALA A 95 -6.911 -12.436 1.404 1.00 45.03 N ATOM 1454 CA ALA A 95 -6.107 -13.045 2.464 1.00 23.24 C ATOM 1455 C ALA A 95 -5.563 -11.982 3.412 1.00 70.35 C ATOM 1456 O ALA A 95 -5.553 -10.798 3.078 1.00 62.43 O ATOM 1457 CB ALA A 95 -4.960 -13.849 1.855 1.00 73.13 C ATOM 0 H ALA A 95 -6.600 -11.508 1.118 1.00 45.03 H new ATOM 0 HA ALA A 95 -6.746 -13.717 3.038 1.00 23.24 H new ATOM 0 HB1 ALA A 95 -4.367 -14.298 2.652 1.00 73.13 H new ATOM 0 HB2 ALA A 95 -5.365 -14.634 1.217 1.00 73.13 H new ATOM 0 HB3 ALA A 95 -4.328 -13.189 1.261 1.00 73.13 H new ATOM 1463 N ILE A 96 -5.101 -12.411 4.585 1.00 11.41 N ATOM 1464 CA ILE A 96 -4.554 -11.490 5.580 1.00 0.05 C ATOM 1465 C ILE A 96 -3.321 -10.755 5.026 1.00 43.30 C ATOM 1466 O ILE A 96 -3.235 -9.534 5.136 1.00 42.12 O ATOM 1467 CB ILE A 96 -4.197 -12.213 6.911 1.00 0.14 C ATOM 1468 CG1 ILE A 96 -5.425 -12.949 7.474 1.00 3.41 C ATOM 1469 CG2 ILE A 96 -3.648 -11.222 7.937 1.00 30.31 C ATOM 1470 CD1 ILE A 96 -6.597 -12.042 7.795 1.00 34.11 C ATOM 0 H ILE A 96 -5.094 -13.390 4.870 1.00 11.41 H new ATOM 0 HA ILE A 96 -5.332 -10.759 5.800 1.00 0.05 H new ATOM 0 HB ILE A 96 -3.421 -12.949 6.700 1.00 0.14 H new ATOM 0 HG12 ILE A 96 -5.747 -13.700 6.753 1.00 3.41 H new ATOM 0 HG13 ILE A 96 -5.133 -13.481 8.379 1.00 3.41 H new ATOM 0 HG21 ILE A 96 -3.405 -11.750 8.859 1.00 30.31 H new ATOM 0 HG22 ILE A 96 -2.749 -10.750 7.542 1.00 30.31 H new ATOM 0 HG23 ILE A 96 -4.398 -10.458 8.143 1.00 30.31 H new ATOM 0 HD11 ILE A 96 -7.422 -12.638 8.187 1.00 34.11 H new ATOM 0 HD12 ILE A 96 -6.294 -11.307 8.541 1.00 34.11 H new ATOM 0 HD13 ILE A 96 -6.919 -11.529 6.889 1.00 34.11 H new ATOM 1482 N PRO A 97 -2.343 -11.474 4.423 1.00 0.23 N ATOM 1483 CA PRO A 97 -1.227 -10.834 3.731 1.00 45.01 C ATOM 1484 C PRO A 97 -1.651 -10.381 2.332 1.00 2.25 C ATOM 1485 O PRO A 97 -1.773 -11.197 1.417 1.00 15.30 O ATOM 1486 CB PRO A 97 -0.143 -11.936 3.657 1.00 34.21 C ATOM 1487 CG PRO A 97 -0.727 -13.141 4.338 1.00 75.44 C ATOM 1488 CD PRO A 97 -2.219 -12.937 4.367 1.00 63.54 C ATOM 0 HA PRO A 97 -0.870 -9.940 4.242 1.00 45.01 H new ATOM 0 HB2 PRO A 97 0.115 -12.160 2.622 1.00 34.21 H new ATOM 0 HB3 PRO A 97 0.774 -11.615 4.152 1.00 34.21 H new ATOM 0 HG2 PRO A 97 -0.471 -14.053 3.799 1.00 75.44 H new ATOM 0 HG3 PRO A 97 -0.330 -13.246 5.348 1.00 75.44 H new ATOM 0 HD2 PRO A 97 -2.702 -13.351 3.482 1.00 63.54 H new ATOM 0 HD3 PRO A 97 -2.677 -13.416 5.233 1.00 63.54 H new ATOM 1496 N THR A 98 -1.920 -9.090 2.188 1.00 3.21 N ATOM 1497 CA THR A 98 -2.370 -8.529 0.917 1.00 21.34 C ATOM 1498 C THR A 98 -1.981 -7.052 0.813 1.00 52.54 C ATOM 1499 O THR A 98 -1.928 -6.343 1.824 1.00 1.14 O ATOM 1500 CB THR A 98 -3.907 -8.673 0.761 1.00 43.30 C ATOM 1501 OG1 THR A 98 -4.281 -10.058 0.787 1.00 53.52 O ATOM 1502 CG2 THR A 98 -4.414 -8.042 -0.533 1.00 24.44 C ATOM 0 H THR A 98 -1.834 -8.406 2.940 1.00 3.21 H new ATOM 0 HA THR A 98 -1.882 -9.085 0.117 1.00 21.34 H new ATOM 0 HB THR A 98 -4.364 -8.146 1.598 1.00 43.30 H new ATOM 0 HG1 THR A 98 -4.745 -10.256 1.627 1.00 53.52 H new ATOM 0 HG21 THR A 98 -5.495 -8.167 -0.600 1.00 24.44 H new ATOM 0 HG22 THR A 98 -4.170 -6.980 -0.540 1.00 24.44 H new ATOM 0 HG23 THR A 98 -3.939 -8.528 -1.385 1.00 24.44 H new ATOM 1510 N ILE A 99 -1.684 -6.609 -0.411 1.00 43.32 N ATOM 1511 CA ILE A 99 -1.370 -5.211 -0.688 1.00 25.42 C ATOM 1512 C ILE A 99 -2.395 -4.625 -1.661 1.00 21.40 C ATOM 1513 O ILE A 99 -2.513 -5.080 -2.801 1.00 53.10 O ATOM 1514 CB ILE A 99 0.057 -5.033 -1.293 1.00 31.41 C ATOM 1515 CG1 ILE A 99 1.154 -5.341 -0.252 1.00 31.33 C ATOM 1516 CG2 ILE A 99 0.244 -3.617 -1.849 1.00 22.51 C ATOM 1517 CD1 ILE A 99 1.325 -6.812 0.073 1.00 52.20 C ATOM 0 H ILE A 99 -1.655 -7.210 -1.234 1.00 43.32 H new ATOM 0 HA ILE A 99 -1.404 -4.684 0.266 1.00 25.42 H new ATOM 0 HB ILE A 99 0.153 -5.747 -2.111 1.00 31.41 H new ATOM 0 HG12 ILE A 99 2.104 -4.951 -0.619 1.00 31.33 H new ATOM 0 HG13 ILE A 99 0.923 -4.804 0.668 1.00 31.33 H new ATOM 0 HG21 ILE A 99 1.247 -3.519 -2.265 1.00 22.51 H new ATOM 0 HG22 ILE A 99 -0.493 -3.433 -2.631 1.00 22.51 H new ATOM 0 HG23 ILE A 99 0.111 -2.891 -1.047 1.00 22.51 H new ATOM 0 HD11 ILE A 99 2.117 -6.932 0.813 1.00 52.20 H new ATOM 0 HD12 ILE A 99 0.391 -7.207 0.474 1.00 52.20 H new ATOM 0 HD13 ILE A 99 1.590 -7.356 -0.833 1.00 52.20 H new ATOM 1529 N LEU A 100 -3.149 -3.637 -1.197 1.00 25.45 N ATOM 1530 CA LEU A 100 -4.081 -2.904 -2.048 1.00 30.44 C ATOM 1531 C LEU A 100 -3.400 -1.641 -2.567 1.00 44.14 C ATOM 1532 O LEU A 100 -2.916 -0.829 -1.782 1.00 32.03 O ATOM 1533 CB LEU A 100 -5.348 -2.530 -1.259 1.00 1.22 C ATOM 1534 CG LEU A 100 -6.135 -3.714 -0.668 1.00 22.24 C ATOM 1535 CD1 LEU A 100 -7.326 -3.221 0.153 1.00 61.42 C ATOM 1536 CD2 LEU A 100 -6.597 -4.661 -1.773 1.00 52.34 C ATOM 0 H LEU A 100 -3.133 -3.322 -0.227 1.00 25.45 H new ATOM 0 HA LEU A 100 -4.371 -3.536 -2.888 1.00 30.44 H new ATOM 0 HB2 LEU A 100 -5.064 -1.863 -0.445 1.00 1.22 H new ATOM 0 HB3 LEU A 100 -6.011 -1.967 -1.916 1.00 1.22 H new ATOM 0 HG LEU A 100 -5.469 -4.264 -0.003 1.00 22.24 H new ATOM 0 HD11 LEU A 100 -7.866 -4.076 0.560 1.00 61.42 H new ATOM 0 HD12 LEU A 100 -6.970 -2.594 0.970 1.00 61.42 H new ATOM 0 HD13 LEU A 100 -7.993 -2.641 -0.485 1.00 61.42 H new ATOM 0 HD21 LEU A 100 -7.151 -5.490 -1.333 1.00 52.34 H new ATOM 0 HD22 LEU A 100 -7.241 -4.122 -2.468 1.00 52.34 H new ATOM 0 HD23 LEU A 100 -5.729 -5.047 -2.308 1.00 52.34 H new ATOM 1548 N MET A 101 -3.345 -1.479 -3.881 1.00 14.13 N ATOM 1549 CA MET A 101 -2.686 -0.321 -4.478 1.00 14.14 C ATOM 1550 C MET A 101 -3.701 0.796 -4.719 1.00 73.02 C ATOM 1551 O MET A 101 -4.873 0.527 -4.991 1.00 20.13 O ATOM 1552 CB MET A 101 -1.995 -0.714 -5.798 1.00 51.13 C ATOM 1553 CG MET A 101 -1.020 -1.879 -5.668 1.00 72.52 C ATOM 1554 SD MET A 101 0.037 -2.064 -7.116 1.00 62.14 S ATOM 1555 CE MET A 101 0.944 -0.517 -7.075 1.00 5.42 C ATOM 0 H MET A 101 -3.747 -2.131 -4.554 1.00 14.13 H new ATOM 0 HA MET A 101 -1.925 0.041 -3.787 1.00 14.14 H new ATOM 0 HB2 MET A 101 -2.758 -0.973 -6.532 1.00 51.13 H new ATOM 0 HB3 MET A 101 -1.460 0.152 -6.187 1.00 51.13 H new ATOM 0 HG2 MET A 101 -0.398 -1.730 -4.785 1.00 72.52 H new ATOM 0 HG3 MET A 101 -1.580 -2.801 -5.512 1.00 72.52 H new ATOM 0 HE1 MET A 101 2.007 -0.714 -7.216 1.00 5.42 H new ATOM 0 HE2 MET A 101 0.587 0.135 -7.872 1.00 5.42 H new ATOM 0 HE3 MET A 101 0.790 -0.031 -6.112 1.00 5.42 H new ATOM 1565 N PHE A 102 -3.244 2.041 -4.617 1.00 10.31 N ATOM 1566 CA PHE A 102 -4.075 3.219 -4.877 1.00 53.21 C ATOM 1567 C PHE A 102 -3.225 4.312 -5.520 1.00 63.22 C ATOM 1568 O PHE A 102 -1.996 4.264 -5.448 1.00 4.42 O ATOM 1569 CB PHE A 102 -4.711 3.747 -3.577 1.00 53.12 C ATOM 1570 CG PHE A 102 -5.682 2.783 -2.941 1.00 51.52 C ATOM 1571 CD1 PHE A 102 -6.981 2.676 -3.416 1.00 3.44 C ATOM 1572 CD2 PHE A 102 -5.293 1.978 -1.880 1.00 74.42 C ATOM 1573 CE1 PHE A 102 -7.872 1.789 -2.843 1.00 51.31 C ATOM 1574 CE2 PHE A 102 -6.180 1.088 -1.304 1.00 64.30 C ATOM 1575 CZ PHE A 102 -7.471 0.994 -1.787 1.00 33.54 C ATOM 0 H PHE A 102 -2.285 2.265 -4.351 1.00 10.31 H new ATOM 0 HA PHE A 102 -4.879 2.931 -5.555 1.00 53.21 H new ATOM 0 HB2 PHE A 102 -3.920 3.976 -2.863 1.00 53.12 H new ATOM 0 HB3 PHE A 102 -5.228 4.682 -3.790 1.00 53.12 H new ATOM 0 HD1 PHE A 102 -7.299 3.293 -4.243 1.00 3.44 H new ATOM 0 HD2 PHE A 102 -4.285 2.048 -1.499 1.00 74.42 H new ATOM 0 HE1 PHE A 102 -8.881 1.717 -3.221 1.00 51.31 H new ATOM 0 HE2 PHE A 102 -5.865 0.467 -0.478 1.00 64.30 H new ATOM 0 HZ PHE A 102 -8.166 0.299 -1.339 1.00 33.54 H new ATOM 1585 N LYS A 103 -3.867 5.279 -6.166 1.00 73.12 N ATOM 1586 CA LYS A 103 -3.151 6.424 -6.733 1.00 10.33 C ATOM 1587 C LYS A 103 -4.026 7.669 -6.705 1.00 54.34 C ATOM 1588 O LYS A 103 -4.953 7.799 -7.497 1.00 14.24 O ATOM 1589 CB LYS A 103 -2.695 6.129 -8.173 1.00 53.42 C ATOM 1590 CG LYS A 103 -2.068 7.330 -8.887 1.00 5.21 C ATOM 1591 CD LYS A 103 -1.654 6.992 -10.320 1.00 52.04 C ATOM 1592 CE LYS A 103 -0.369 6.169 -10.377 1.00 32.02 C ATOM 1593 NZ LYS A 103 0.846 7.011 -10.180 1.00 3.44 N ATOM 0 H LYS A 103 -4.876 5.297 -6.312 1.00 73.12 H new ATOM 0 HA LYS A 103 -2.266 6.603 -6.122 1.00 10.33 H new ATOM 0 HB2 LYS A 103 -1.973 5.313 -8.154 1.00 53.42 H new ATOM 0 HB3 LYS A 103 -3.552 5.783 -8.751 1.00 53.42 H new ATOM 0 HG2 LYS A 103 -2.779 8.156 -8.900 1.00 5.21 H new ATOM 0 HG3 LYS A 103 -1.196 7.669 -8.328 1.00 5.21 H new ATOM 0 HD2 LYS A 103 -2.458 6.439 -10.807 1.00 52.04 H new ATOM 0 HD3 LYS A 103 -1.516 7.915 -10.883 1.00 52.04 H new ATOM 0 HE2 LYS A 103 -0.401 5.394 -9.611 1.00 32.02 H new ATOM 0 HE3 LYS A 103 -0.306 5.662 -11.340 1.00 32.02 H new ATOM 0 HZ1 LYS A 103 1.694 6.409 -10.209 1.00 3.44 H new ATOM 0 HZ2 LYS A 103 0.901 7.724 -10.936 1.00 3.44 H new ATOM 0 HZ3 LYS A 103 0.792 7.488 -9.257 1.00 3.44 H new ATOM 1607 N ASN A 104 -3.730 8.579 -5.778 1.00 65.33 N ATOM 1608 CA ASN A 104 -4.454 9.852 -5.671 1.00 52.11 C ATOM 1609 C ASN A 104 -5.956 9.607 -5.485 1.00 53.51 C ATOM 1610 O ASN A 104 -6.797 10.312 -6.053 1.00 35.44 O ATOM 1611 CB ASN A 104 -4.201 10.719 -6.918 1.00 4.24 C ATOM 1612 CG ASN A 104 -4.714 12.144 -6.762 1.00 15.22 C ATOM 1613 OD1 ASN A 104 -4.683 12.715 -5.674 1.00 71.33 O ATOM 1614 ND2 ASN A 104 -5.203 12.722 -7.849 1.00 11.23 N ATOM 0 H ASN A 104 -2.991 8.460 -5.085 1.00 65.33 H new ATOM 0 HA ASN A 104 -4.083 10.385 -4.795 1.00 52.11 H new ATOM 0 HB2 ASN A 104 -3.131 10.744 -7.126 1.00 4.24 H new ATOM 0 HB3 ASN A 104 -4.683 10.257 -7.780 1.00 4.24 H new ATOM 0 HD21 ASN A 104 -5.570 13.672 -7.800 1.00 11.23 H new ATOM 0 HD22 ASN A 104 -5.212 12.217 -8.735 1.00 11.23 H new ATOM 1621 N GLY A 105 -6.286 8.597 -4.686 1.00 61.00 N ATOM 1622 CA GLY A 105 -7.679 8.231 -4.454 1.00 25.34 C ATOM 1623 C GLY A 105 -8.251 7.355 -5.562 1.00 55.24 C ATOM 1624 O GLY A 105 -9.295 6.723 -5.382 1.00 24.11 O ATOM 0 H GLY A 105 -5.609 8.018 -4.189 1.00 61.00 H new ATOM 0 HA2 GLY A 105 -7.758 7.704 -3.503 1.00 25.34 H new ATOM 0 HA3 GLY A 105 -8.279 9.137 -4.367 1.00 25.34 H new ATOM 1628 N LYS A 106 -7.567 7.318 -6.703 1.00 41.43 N ATOM 1629 CA LYS A 106 -7.989 6.508 -7.846 1.00 1.31 C ATOM 1630 C LYS A 106 -7.670 5.038 -7.594 1.00 22.21 C ATOM 1631 O LYS A 106 -6.694 4.718 -6.901 1.00 34.21 O ATOM 1632 CB LYS A 106 -7.278 6.993 -9.124 1.00 5.41 C ATOM 1633 CG LYS A 106 -7.558 6.147 -10.364 1.00 55.42 C ATOM 1634 CD LYS A 106 -6.725 6.608 -11.558 1.00 4.41 C ATOM 1635 CE LYS A 106 -6.953 5.733 -12.785 1.00 54.04 C ATOM 1636 NZ LYS A 106 -8.372 5.755 -13.231 1.00 71.43 N ATOM 0 H LYS A 106 -6.709 7.845 -6.862 1.00 41.43 H new ATOM 0 HA LYS A 106 -9.066 6.615 -7.977 1.00 1.31 H new ATOM 0 HB2 LYS A 106 -7.580 8.021 -9.325 1.00 5.41 H new ATOM 0 HB3 LYS A 106 -6.203 7.006 -8.944 1.00 5.41 H new ATOM 0 HG2 LYS A 106 -7.339 5.101 -10.149 1.00 55.42 H new ATOM 0 HG3 LYS A 106 -8.617 6.206 -10.614 1.00 55.42 H new ATOM 0 HD2 LYS A 106 -6.976 7.641 -11.798 1.00 4.41 H new ATOM 0 HD3 LYS A 106 -5.668 6.590 -11.291 1.00 4.41 H new ATOM 0 HE2 LYS A 106 -6.312 6.075 -13.598 1.00 54.04 H new ATOM 0 HE3 LYS A 106 -6.660 4.708 -12.558 1.00 54.04 H new ATOM 0 HZ1 LYS A 106 -8.452 5.289 -14.157 1.00 71.43 H new ATOM 0 HZ2 LYS A 106 -8.962 5.251 -12.538 1.00 71.43 H new ATOM 0 HZ3 LYS A 106 -8.696 6.740 -13.310 1.00 71.43 H new ATOM 1650 N LYS A 107 -8.499 4.152 -8.155 1.00 13.14 N ATOM 1651 CA LYS A 107 -8.290 2.714 -8.029 1.00 23.53 C ATOM 1652 C LYS A 107 -7.004 2.288 -8.728 1.00 11.14 C ATOM 1653 O LYS A 107 -6.524 2.951 -9.652 1.00 12.01 O ATOM 1654 CB LYS A 107 -9.486 1.915 -8.575 1.00 31.05 C ATOM 1655 CG LYS A 107 -10.743 1.988 -7.706 1.00 23.02 C ATOM 1656 CD LYS A 107 -10.504 1.464 -6.284 1.00 71.10 C ATOM 1657 CE LYS A 107 -10.088 -0.009 -6.258 1.00 42.40 C ATOM 1658 NZ LYS A 107 -11.159 -0.912 -6.758 1.00 54.32 N ATOM 0 H LYS A 107 -9.321 4.410 -8.701 1.00 13.14 H new ATOM 0 HA LYS A 107 -8.199 2.493 -6.966 1.00 23.53 H new ATOM 0 HB2 LYS A 107 -9.727 2.281 -9.573 1.00 31.05 H new ATOM 0 HB3 LYS A 107 -9.192 0.871 -8.681 1.00 31.05 H new ATOM 0 HG2 LYS A 107 -11.087 3.021 -7.656 1.00 23.02 H new ATOM 0 HG3 LYS A 107 -11.539 1.409 -8.174 1.00 23.02 H new ATOM 0 HD2 LYS A 107 -9.730 2.064 -5.806 1.00 71.10 H new ATOM 0 HD3 LYS A 107 -11.414 1.591 -5.697 1.00 71.10 H new ATOM 0 HE2 LYS A 107 -9.193 -0.141 -6.866 1.00 42.40 H new ATOM 0 HE3 LYS A 107 -9.826 -0.291 -5.238 1.00 42.40 H new ATOM 0 HZ1 LYS A 107 -10.854 -1.901 -6.657 1.00 54.32 H new ATOM 0 HZ2 LYS A 107 -12.027 -0.759 -6.207 1.00 54.32 H new ATOM 0 HZ3 LYS A 107 -11.345 -0.708 -7.761 1.00 54.32 H new ATOM 1672 N LEU A 108 -6.494 1.155 -8.289 1.00 21.35 N ATOM 1673 CA LEU A 108 -5.157 0.686 -8.614 1.00 51.11 C ATOM 1674 C LEU A 108 -5.111 -0.812 -8.305 1.00 42.40 C ATOM 1675 O LEU A 108 -6.043 -1.342 -7.695 1.00 63.00 O ATOM 1676 CB LEU A 108 -4.090 1.479 -7.832 1.00 50.42 C ATOM 1677 CG LEU A 108 -2.937 2.099 -8.656 1.00 23.21 C ATOM 1678 CD1 LEU A 108 -2.043 1.026 -9.268 1.00 51.22 C ATOM 1679 CD2 LEU A 108 -3.478 3.028 -9.741 1.00 10.03 C ATOM 0 H LEU A 108 -7.008 0.517 -7.681 1.00 21.35 H new ATOM 0 HA LEU A 108 -4.933 0.847 -9.669 1.00 51.11 H new ATOM 0 HB2 LEU A 108 -4.592 2.282 -7.292 1.00 50.42 H new ATOM 0 HB3 LEU A 108 -3.655 0.816 -7.084 1.00 50.42 H new ATOM 0 HG LEU A 108 -2.328 2.687 -7.969 1.00 23.21 H new ATOM 0 HD11 LEU A 108 -1.245 1.500 -9.839 1.00 51.22 H new ATOM 0 HD12 LEU A 108 -1.609 0.418 -8.474 1.00 51.22 H new ATOM 0 HD13 LEU A 108 -2.635 0.392 -9.928 1.00 51.22 H new ATOM 0 HD21 LEU A 108 -2.647 3.451 -10.306 1.00 10.03 H new ATOM 0 HD22 LEU A 108 -4.124 2.464 -10.414 1.00 10.03 H new ATOM 0 HD23 LEU A 108 -4.049 3.833 -9.279 1.00 10.03 H new ATOM 1691 N SER A 109 -4.072 -1.495 -8.752 1.00 4.20 N ATOM 1692 CA SER A 109 -4.036 -2.951 -8.754 1.00 54.14 C ATOM 1693 C SER A 109 -3.922 -3.534 -7.340 1.00 43.11 C ATOM 1694 O SER A 109 -3.882 -2.809 -6.350 1.00 31.03 O ATOM 1695 CB SER A 109 -2.818 -3.386 -9.572 1.00 51.23 C ATOM 1696 OG SER A 109 -3.015 -3.154 -10.959 1.00 45.22 O ATOM 0 H SER A 109 -3.229 -1.058 -9.124 1.00 4.20 H new ATOM 0 HA SER A 109 -4.968 -3.320 -9.182 1.00 54.14 H new ATOM 0 HB2 SER A 109 -1.937 -2.842 -9.232 1.00 51.23 H new ATOM 0 HB3 SER A 109 -2.624 -4.445 -9.403 1.00 51.23 H new ATOM 0 HG SER A 109 -2.149 -2.999 -11.391 1.00 45.22 H new ATOM 1702 N GLN A 110 -3.912 -4.859 -7.262 1.00 52.42 N ATOM 1703 CA GLN A 110 -3.874 -5.564 -5.987 1.00 22.42 C ATOM 1704 C GLN A 110 -2.846 -6.689 -6.026 1.00 40.02 C ATOM 1705 O GLN A 110 -2.827 -7.493 -6.963 1.00 61.00 O ATOM 1706 CB GLN A 110 -5.260 -6.142 -5.661 1.00 2.24 C ATOM 1707 CG GLN A 110 -5.303 -6.959 -4.369 1.00 20.13 C ATOM 1708 CD GLN A 110 -6.666 -7.579 -4.100 1.00 35.42 C ATOM 1709 OE1 GLN A 110 -7.411 -7.901 -5.023 1.00 44.13 O ATOM 1710 NE2 GLN A 110 -7.001 -7.754 -2.829 1.00 63.10 N ATOM 0 H GLN A 110 -3.930 -5.473 -8.077 1.00 52.42 H new ATOM 0 HA GLN A 110 -3.588 -4.854 -5.211 1.00 22.42 H new ATOM 0 HB2 GLN A 110 -5.976 -5.323 -5.585 1.00 2.24 H new ATOM 0 HB3 GLN A 110 -5.584 -6.773 -6.489 1.00 2.24 H new ATOM 0 HG2 GLN A 110 -4.555 -7.750 -4.421 1.00 20.13 H new ATOM 0 HG3 GLN A 110 -5.031 -6.317 -3.531 1.00 20.13 H new ATOM 0 HE21 GLN A 110 -6.357 -7.475 -2.089 1.00 63.10 H new ATOM 0 HE22 GLN A 110 -7.902 -8.168 -2.592 1.00 63.10 H new ATOM 1719 N VAL A 111 -1.990 -6.732 -5.016 1.00 23.25 N ATOM 1720 CA VAL A 111 -1.046 -7.826 -4.849 1.00 41.51 C ATOM 1721 C VAL A 111 -1.576 -8.783 -3.785 1.00 51.53 C ATOM 1722 O VAL A 111 -1.598 -8.455 -2.597 1.00 22.33 O ATOM 1723 CB VAL A 111 0.358 -7.314 -4.436 1.00 62.14 C ATOM 1724 CG1 VAL A 111 1.347 -8.470 -4.306 1.00 41.41 C ATOM 1725 CG2 VAL A 111 0.864 -6.267 -5.428 1.00 73.44 C ATOM 0 H VAL A 111 -1.930 -6.014 -4.294 1.00 23.25 H new ATOM 0 HA VAL A 111 -0.944 -8.339 -5.805 1.00 41.51 H new ATOM 0 HB VAL A 111 0.272 -6.840 -3.458 1.00 62.14 H new ATOM 0 HG11 VAL A 111 2.323 -8.082 -4.015 1.00 41.41 H new ATOM 0 HG12 VAL A 111 0.993 -9.168 -3.547 1.00 41.41 H new ATOM 0 HG13 VAL A 111 1.431 -8.986 -5.262 1.00 41.41 H new ATOM 0 HG21 VAL A 111 1.851 -5.921 -5.120 1.00 73.44 H new ATOM 0 HG22 VAL A 111 0.929 -6.709 -6.422 1.00 73.44 H new ATOM 0 HG23 VAL A 111 0.174 -5.423 -5.450 1.00 73.44 H new ATOM 1735 N ILE A 112 -2.037 -9.946 -4.223 1.00 75.22 N ATOM 1736 CA ILE A 112 -2.603 -10.944 -3.323 1.00 43.31 C ATOM 1737 C ILE A 112 -1.500 -11.843 -2.778 1.00 3.41 C ATOM 1738 O ILE A 112 -0.925 -12.653 -3.512 1.00 52.44 O ATOM 1739 CB ILE A 112 -3.670 -11.802 -4.046 1.00 73.11 C ATOM 1740 CG1 ILE A 112 -4.743 -10.892 -4.669 1.00 2.15 C ATOM 1741 CG2 ILE A 112 -4.304 -12.808 -3.083 1.00 33.10 C ATOM 1742 CD1 ILE A 112 -5.752 -11.625 -5.525 1.00 71.33 C ATOM 0 H ILE A 112 -2.030 -10.224 -5.204 1.00 75.22 H new ATOM 0 HA ILE A 112 -3.084 -10.421 -2.497 1.00 43.31 H new ATOM 0 HB ILE A 112 -3.183 -12.364 -4.843 1.00 73.11 H new ATOM 0 HG12 ILE A 112 -5.270 -10.371 -3.870 1.00 2.15 H new ATOM 0 HG13 ILE A 112 -4.252 -10.132 -5.276 1.00 2.15 H new ATOM 0 HG21 ILE A 112 -5.050 -13.399 -3.614 1.00 33.10 H new ATOM 0 HG22 ILE A 112 -3.533 -13.468 -2.687 1.00 33.10 H new ATOM 0 HG23 ILE A 112 -4.781 -12.274 -2.261 1.00 33.10 H new ATOM 0 HD11 ILE A 112 -6.473 -10.914 -5.927 1.00 71.33 H new ATOM 0 HD12 ILE A 112 -5.238 -12.124 -6.347 1.00 71.33 H new ATOM 0 HD13 ILE A 112 -6.273 -12.367 -4.919 1.00 71.33 H new ATOM 1754 N GLY A 113 -1.201 -11.684 -1.495 1.00 12.41 N ATOM 1755 CA GLY A 113 -0.118 -12.420 -0.877 1.00 62.22 C ATOM 1756 C GLY A 113 1.092 -11.538 -0.653 1.00 60.44 C ATOM 1757 O GLY A 113 0.954 -10.334 -0.420 1.00 14.42 O ATOM 0 H GLY A 113 -1.696 -11.051 -0.867 1.00 12.41 H new ATOM 0 HA2 GLY A 113 -0.452 -12.831 0.076 1.00 62.22 H new ATOM 0 HA3 GLY A 113 0.157 -13.264 -1.509 1.00 62.22 H new ATOM 1761 N ALA A 114 2.277 -12.126 -0.736 1.00 45.33 N ATOM 1762 CA ALA A 114 3.520 -11.393 -0.534 1.00 23.33 C ATOM 1763 C ALA A 114 4.511 -11.709 -1.649 1.00 24.34 C ATOM 1764 O ALA A 114 5.201 -12.730 -1.603 1.00 74.30 O ATOM 1765 CB ALA A 114 4.117 -11.734 0.830 1.00 41.25 C ATOM 0 H ALA A 114 2.405 -13.116 -0.944 1.00 45.33 H new ATOM 0 HA ALA A 114 3.305 -10.325 -0.560 1.00 23.33 H new ATOM 0 HB1 ALA A 114 5.045 -11.180 0.970 1.00 41.25 H new ATOM 0 HB2 ALA A 114 3.411 -11.462 1.615 1.00 41.25 H new ATOM 0 HB3 ALA A 114 4.321 -12.803 0.881 1.00 41.25 H new ATOM 1771 N ASP A 115 4.557 -10.852 -2.666 1.00 70.41 N ATOM 1772 CA ASP A 115 5.475 -11.040 -3.790 1.00 11.12 C ATOM 1773 C ASP A 115 6.079 -9.703 -4.216 1.00 31.34 C ATOM 1774 O ASP A 115 5.426 -8.886 -4.885 1.00 63.25 O ATOM 1775 CB ASP A 115 4.763 -11.708 -4.973 1.00 32.11 C ATOM 1776 CG ASP A 115 5.734 -12.118 -6.070 1.00 0.22 C ATOM 1777 OD1 ASP A 115 6.540 -13.047 -5.840 1.00 64.03 O ATOM 1778 OD2 ASP A 115 5.692 -11.524 -7.167 1.00 52.21 O ATOM 0 H ASP A 115 3.970 -10.021 -2.736 1.00 70.41 H new ATOM 0 HA ASP A 115 6.281 -11.698 -3.464 1.00 11.12 H new ATOM 0 HB2 ASP A 115 4.223 -12.587 -4.621 1.00 32.11 H new ATOM 0 HB3 ASP A 115 4.022 -11.022 -5.384 1.00 32.11 H new ATOM 1783 N ILE A 116 7.333 -9.494 -3.828 1.00 25.55 N ATOM 1784 CA ILE A 116 8.025 -8.229 -4.059 1.00 60.13 C ATOM 1785 C ILE A 116 8.171 -7.975 -5.560 1.00 34.31 C ATOM 1786 O ILE A 116 8.207 -6.830 -6.005 1.00 64.10 O ATOM 1787 CB ILE A 116 9.421 -8.222 -3.353 1.00 32.23 C ATOM 1788 CG1 ILE A 116 9.711 -6.855 -2.697 1.00 3.22 C ATOM 1789 CG2 ILE A 116 10.546 -8.604 -4.318 1.00 23.50 C ATOM 1790 CD1 ILE A 116 9.802 -5.692 -3.660 1.00 45.30 C ATOM 0 H ILE A 116 7.897 -10.194 -3.346 1.00 25.55 H new ATOM 0 HA ILE A 116 7.430 -7.424 -3.628 1.00 60.13 H new ATOM 0 HB ILE A 116 9.385 -8.977 -2.568 1.00 32.23 H new ATOM 0 HG12 ILE A 116 8.928 -6.644 -1.969 1.00 3.22 H new ATOM 0 HG13 ILE A 116 10.648 -6.925 -2.145 1.00 3.22 H new ATOM 0 HG21 ILE A 116 11.499 -8.588 -3.790 1.00 23.50 H new ATOM 0 HG22 ILE A 116 10.365 -9.605 -4.710 1.00 23.50 H new ATOM 0 HG23 ILE A 116 10.576 -7.892 -5.143 1.00 23.50 H new ATOM 0 HD11 ILE A 116 10.008 -4.776 -3.106 1.00 45.30 H new ATOM 0 HD12 ILE A 116 10.606 -5.873 -4.374 1.00 45.30 H new ATOM 0 HD13 ILE A 116 8.858 -5.588 -4.195 1.00 45.30 H new ATOM 1802 N SER A 117 8.230 -9.056 -6.330 1.00 51.40 N ATOM 1803 CA SER A 117 8.361 -8.970 -7.777 1.00 24.04 C ATOM 1804 C SER A 117 7.137 -8.273 -8.379 1.00 24.03 C ATOM 1805 O SER A 117 7.265 -7.284 -9.108 1.00 30.54 O ATOM 1806 CB SER A 117 8.529 -10.377 -8.360 1.00 13.43 C ATOM 1807 OG SER A 117 9.505 -11.109 -7.629 1.00 60.02 O ATOM 0 H SER A 117 8.189 -10.010 -5.970 1.00 51.40 H new ATOM 0 HA SER A 117 9.242 -8.379 -8.027 1.00 24.04 H new ATOM 0 HB2 SER A 117 7.575 -10.904 -8.332 1.00 13.43 H new ATOM 0 HB3 SER A 117 8.826 -10.310 -9.407 1.00 13.43 H new ATOM 0 HG SER A 117 9.598 -12.005 -8.014 1.00 60.02 H new ATOM 1813 N LYS A 118 5.952 -8.779 -8.050 1.00 65.23 N ATOM 1814 CA LYS A 118 4.706 -8.174 -8.506 1.00 33.31 C ATOM 1815 C LYS A 118 4.597 -6.742 -7.986 1.00 10.24 C ATOM 1816 O LYS A 118 4.243 -5.823 -8.734 1.00 32.35 O ATOM 1817 CB LYS A 118 3.498 -9.011 -8.049 1.00 2.54 C ATOM 1818 CG LYS A 118 2.136 -8.401 -8.394 1.00 12.11 C ATOM 1819 CD LYS A 118 1.957 -8.178 -9.898 1.00 14.44 C ATOM 1820 CE LYS A 118 0.586 -7.589 -10.220 1.00 73.12 C ATOM 1821 NZ LYS A 118 0.431 -7.287 -11.668 1.00 0.22 N ATOM 0 H LYS A 118 5.829 -9.608 -7.468 1.00 65.23 H new ATOM 0 HA LYS A 118 4.708 -8.150 -9.596 1.00 33.31 H new ATOM 0 HB2 LYS A 118 3.565 -10.000 -8.503 1.00 2.54 H new ATOM 0 HB3 LYS A 118 3.556 -9.151 -6.970 1.00 2.54 H new ATOM 0 HG2 LYS A 118 1.345 -9.057 -8.031 1.00 12.11 H new ATOM 0 HG3 LYS A 118 2.025 -7.450 -7.873 1.00 12.11 H new ATOM 0 HD2 LYS A 118 2.736 -7.508 -10.262 1.00 14.44 H new ATOM 0 HD3 LYS A 118 2.079 -9.125 -10.424 1.00 14.44 H new ATOM 0 HE2 LYS A 118 -0.190 -8.289 -9.911 1.00 73.12 H new ATOM 0 HE3 LYS A 118 0.440 -6.676 -9.642 1.00 73.12 H new ATOM 0 HZ1 LYS A 118 -0.434 -7.740 -12.027 1.00 0.22 H new ATOM 0 HZ2 LYS A 118 0.364 -6.258 -11.803 1.00 0.22 H new ATOM 0 HZ3 LYS A 118 1.254 -7.651 -12.189 1.00 0.22 H new ATOM 1835 N ILE A 119 4.925 -6.559 -6.707 1.00 4.10 N ATOM 1836 CA ILE A 119 4.880 -5.235 -6.087 1.00 22.53 C ATOM 1837 C ILE A 119 5.733 -4.225 -6.866 1.00 52.35 C ATOM 1838 O ILE A 119 5.225 -3.195 -7.316 1.00 52.31 O ATOM 1839 CB ILE A 119 5.341 -5.286 -4.606 1.00 54.42 C ATOM 1840 CG1 ILE A 119 4.361 -6.137 -3.776 1.00 61.14 C ATOM 1841 CG2 ILE A 119 5.466 -3.878 -4.024 1.00 54.55 C ATOM 1842 CD1 ILE A 119 4.731 -6.257 -2.312 1.00 64.30 C ATOM 0 H ILE A 119 5.224 -7.308 -6.082 1.00 4.10 H new ATOM 0 HA ILE A 119 3.841 -4.906 -6.114 1.00 22.53 H new ATOM 0 HB ILE A 119 6.326 -5.751 -4.566 1.00 54.42 H new ATOM 0 HG12 ILE A 119 3.364 -5.702 -3.853 1.00 61.14 H new ATOM 0 HG13 ILE A 119 4.308 -7.136 -4.209 1.00 61.14 H new ATOM 0 HG21 ILE A 119 5.790 -3.941 -2.985 1.00 54.55 H new ATOM 0 HG22 ILE A 119 6.198 -3.310 -4.599 1.00 54.55 H new ATOM 0 HG23 ILE A 119 4.499 -3.377 -4.072 1.00 54.55 H new ATOM 0 HD11 ILE A 119 3.991 -6.871 -1.799 1.00 64.30 H new ATOM 0 HD12 ILE A 119 5.713 -6.721 -2.222 1.00 64.30 H new ATOM 0 HD13 ILE A 119 4.755 -5.265 -1.860 1.00 64.30 H new ATOM 1854 N ILE A 120 7.018 -4.533 -7.052 1.00 3.14 N ATOM 1855 CA ILE A 120 7.935 -3.614 -7.724 1.00 43.44 C ATOM 1856 C ILE A 120 7.518 -3.402 -9.180 1.00 13.02 C ATOM 1857 O ILE A 120 7.663 -2.301 -9.720 1.00 21.04 O ATOM 1858 CB ILE A 120 9.415 -4.095 -7.654 1.00 44.44 C ATOM 1859 CG1 ILE A 120 10.366 -3.023 -8.221 1.00 61.41 C ATOM 1860 CG2 ILE A 120 9.606 -5.418 -8.398 1.00 13.34 C ATOM 1861 CD1 ILE A 120 10.315 -1.699 -7.479 1.00 42.04 C ATOM 0 H ILE A 120 7.445 -5.408 -6.748 1.00 3.14 H new ATOM 0 HA ILE A 120 7.875 -2.664 -7.192 1.00 43.44 H new ATOM 0 HB ILE A 120 9.658 -4.258 -6.604 1.00 44.44 H new ATOM 0 HG12 ILE A 120 11.386 -3.405 -8.192 1.00 61.41 H new ATOM 0 HG13 ILE A 120 10.120 -2.851 -9.269 1.00 61.41 H new ATOM 0 HG21 ILE A 120 10.649 -5.726 -8.330 1.00 13.34 H new ATOM 0 HG22 ILE A 120 8.972 -6.183 -7.949 1.00 13.34 H new ATOM 0 HG23 ILE A 120 9.333 -5.289 -9.445 1.00 13.34 H new ATOM 0 HD11 ILE A 120 11.012 -0.998 -7.938 1.00 42.04 H new ATOM 0 HD12 ILE A 120 9.305 -1.292 -7.529 1.00 42.04 H new ATOM 0 HD13 ILE A 120 10.591 -1.855 -6.436 1.00 42.04 H new ATOM 1873 N SER A 121 6.979 -4.453 -9.806 1.00 10.35 N ATOM 1874 CA SER A 121 6.473 -4.346 -11.172 1.00 61.15 C ATOM 1875 C SER A 121 5.389 -3.271 -11.258 1.00 10.05 C ATOM 1876 O SER A 121 5.458 -2.374 -12.101 1.00 14.21 O ATOM 1877 CB SER A 121 5.921 -5.695 -11.655 1.00 60.25 C ATOM 1878 OG SER A 121 6.953 -6.664 -11.768 1.00 41.12 O ATOM 0 H SER A 121 6.884 -5.379 -9.390 1.00 10.35 H new ATOM 0 HA SER A 121 7.302 -4.060 -11.820 1.00 61.15 H new ATOM 0 HB2 SER A 121 5.161 -6.050 -10.959 1.00 60.25 H new ATOM 0 HB3 SER A 121 5.433 -5.566 -12.621 1.00 60.25 H new ATOM 0 HG SER A 121 7.190 -6.995 -10.877 1.00 41.12 H new ATOM 1884 N GLU A 122 4.401 -3.346 -10.364 1.00 74.32 N ATOM 1885 CA GLU A 122 3.295 -2.391 -10.364 1.00 24.44 C ATOM 1886 C GLU A 122 3.770 -0.984 -9.996 1.00 61.02 C ATOM 1887 O GLU A 122 3.293 0.004 -10.562 1.00 10.14 O ATOM 1888 CB GLU A 122 2.181 -2.845 -9.416 1.00 53.34 C ATOM 1889 CG GLU A 122 1.397 -4.055 -9.916 1.00 34.52 C ATOM 1890 CD GLU A 122 0.743 -3.820 -11.272 1.00 53.11 C ATOM 1891 OE1 GLU A 122 0.036 -2.804 -11.434 1.00 61.01 O ATOM 1892 OE2 GLU A 122 0.916 -4.665 -12.178 1.00 52.03 O ATOM 0 H GLU A 122 4.345 -4.056 -9.634 1.00 74.32 H new ATOM 0 HA GLU A 122 2.894 -2.355 -11.377 1.00 24.44 H new ATOM 0 HB2 GLU A 122 2.618 -3.083 -8.446 1.00 53.34 H new ATOM 0 HB3 GLU A 122 1.490 -2.016 -9.260 1.00 53.34 H new ATOM 0 HG2 GLU A 122 2.067 -4.912 -9.985 1.00 34.52 H new ATOM 0 HG3 GLU A 122 0.628 -4.310 -9.187 1.00 34.52 H new ATOM 1899 N ILE A 123 4.707 -0.888 -9.055 1.00 42.02 N ATOM 1900 CA ILE A 123 5.250 0.411 -8.657 1.00 32.34 C ATOM 1901 C ILE A 123 5.870 1.115 -9.866 1.00 61.10 C ATOM 1902 O ILE A 123 5.465 2.223 -10.233 1.00 2.13 O ATOM 1903 CB ILE A 123 6.315 0.273 -7.532 1.00 12.33 C ATOM 1904 CG1 ILE A 123 5.667 -0.239 -6.232 1.00 62.21 C ATOM 1905 CG2 ILE A 123 7.033 1.600 -7.288 1.00 64.30 C ATOM 1906 CD1 ILE A 123 6.644 -0.391 -5.081 1.00 41.23 C ATOM 0 H ILE A 123 5.104 -1.685 -8.557 1.00 42.02 H new ATOM 0 HA ILE A 123 4.423 1.005 -8.267 1.00 32.34 H new ATOM 0 HB ILE A 123 7.057 -0.456 -7.859 1.00 12.33 H new ATOM 0 HG12 ILE A 123 4.875 0.449 -5.936 1.00 62.21 H new ATOM 0 HG13 ILE A 123 5.196 -1.203 -6.427 1.00 62.21 H new ATOM 0 HG21 ILE A 123 7.772 1.474 -6.497 1.00 64.30 H new ATOM 0 HG22 ILE A 123 7.532 1.917 -8.203 1.00 64.30 H new ATOM 0 HG23 ILE A 123 6.307 2.357 -6.990 1.00 64.30 H new ATOM 0 HD11 ILE A 123 6.115 -0.755 -4.200 1.00 41.23 H new ATOM 0 HD12 ILE A 123 7.423 -1.102 -5.356 1.00 41.23 H new ATOM 0 HD13 ILE A 123 7.097 0.575 -4.858 1.00 41.23 H new ATOM 1918 N ASN A 124 6.813 0.438 -10.513 1.00 34.10 N ATOM 1919 CA ASN A 124 7.475 0.976 -11.701 1.00 63.43 C ATOM 1920 C ASN A 124 6.453 1.250 -12.800 1.00 12.02 C ATOM 1921 O ASN A 124 6.531 2.262 -13.498 1.00 22.05 O ATOM 1922 CB ASN A 124 8.548 -0.002 -12.209 1.00 12.23 C ATOM 1923 CG ASN A 124 9.733 -0.123 -11.263 1.00 54.55 C ATOM 1924 OD1 ASN A 124 10.106 0.835 -10.585 1.00 2.40 O ATOM 1925 ND2 ASN A 124 10.337 -1.301 -11.214 1.00 31.41 N ATOM 0 H ASN A 124 7.138 -0.488 -10.235 1.00 34.10 H new ATOM 0 HA ASN A 124 7.959 1.914 -11.430 1.00 63.43 H new ATOM 0 HB2 ASN A 124 8.099 -0.985 -12.349 1.00 12.23 H new ATOM 0 HB3 ASN A 124 8.901 0.329 -13.186 1.00 12.23 H new ATOM 0 HD21 ASN A 124 11.140 -1.437 -10.600 1.00 31.41 H new ATOM 0 HD22 ASN A 124 9.999 -2.072 -11.791 1.00 31.41 H new ATOM 1932 N ASN A 125 5.484 0.346 -12.919 1.00 73.12 N ATOM 1933 CA ASN A 125 4.423 0.450 -13.920 1.00 11.31 C ATOM 1934 C ASN A 125 3.610 1.730 -13.733 1.00 33.13 C ATOM 1935 O ASN A 125 3.239 2.393 -14.703 1.00 51.44 O ATOM 1936 CB ASN A 125 3.496 -0.772 -13.821 1.00 62.05 C ATOM 1937 CG ASN A 125 2.378 -0.768 -14.851 1.00 52.53 C ATOM 1938 OD1 ASN A 125 2.553 -0.307 -15.982 1.00 44.35 O ATOM 1939 ND2 ASN A 125 1.217 -1.283 -14.468 1.00 45.31 N ATOM 0 H ASN A 125 5.411 -0.480 -12.325 1.00 73.12 H new ATOM 0 HA ASN A 125 4.887 0.482 -14.906 1.00 11.31 H new ATOM 0 HB2 ASN A 125 4.089 -1.679 -13.943 1.00 62.05 H new ATOM 0 HB3 ASN A 125 3.060 -0.808 -12.823 1.00 62.05 H new ATOM 0 HD21 ASN A 125 0.431 -1.307 -15.117 1.00 45.31 H new ATOM 0 HD22 ASN A 125 1.111 -1.655 -13.524 1.00 45.31 H new ATOM 1946 N ASN A 126 3.343 2.080 -12.476 1.00 71.42 N ATOM 1947 CA ASN A 126 2.477 3.217 -12.162 1.00 11.43 C ATOM 1948 C ASN A 126 3.277 4.465 -11.784 1.00 72.14 C ATOM 1949 O ASN A 126 2.693 5.514 -11.501 1.00 45.15 O ATOM 1950 CB ASN A 126 1.494 2.847 -11.045 1.00 55.02 C ATOM 1951 CG ASN A 126 0.409 1.890 -11.517 1.00 72.41 C ATOM 1952 OD1 ASN A 126 -0.648 2.317 -11.984 1.00 44.32 O ATOM 1953 ND2 ASN A 126 0.655 0.594 -11.389 1.00 2.32 N ATOM 0 H ASN A 126 3.713 1.594 -11.659 1.00 71.42 H new ATOM 0 HA ASN A 126 1.915 3.457 -13.065 1.00 11.43 H new ATOM 0 HB2 ASN A 126 2.041 2.392 -10.220 1.00 55.02 H new ATOM 0 HB3 ASN A 126 1.030 3.754 -10.658 1.00 55.02 H new ATOM 0 HD21 ASN A 126 -0.044 -0.089 -11.682 1.00 2.32 H new ATOM 0 HD22 ASN A 126 1.543 0.280 -10.997 1.00 2.32 H new ATOM 1960 N ILE A 127 4.602 4.352 -11.740 1.00 12.40 N ATOM 1961 CA ILE A 127 5.461 5.534 -11.646 1.00 42.34 C ATOM 1962 C ILE A 127 5.835 6.010 -13.047 1.00 53.32 C ATOM 1963 O ILE A 127 5.593 7.163 -13.413 1.00 2.15 O ATOM 1964 CB ILE A 127 6.754 5.268 -10.831 1.00 41.44 C ATOM 1965 CG1 ILE A 127 6.416 5.043 -9.348 1.00 24.24 C ATOM 1966 CG2 ILE A 127 7.747 6.424 -10.991 1.00 20.31 C ATOM 1967 CD1 ILE A 127 7.633 4.833 -8.472 1.00 0.01 C ATOM 0 H ILE A 127 5.103 3.464 -11.767 1.00 12.40 H new ATOM 0 HA ILE A 127 4.894 6.302 -11.120 1.00 42.34 H new ATOM 0 HB ILE A 127 7.224 4.364 -11.219 1.00 41.44 H new ATOM 0 HG12 ILE A 127 5.856 5.902 -8.978 1.00 24.24 H new ATOM 0 HG13 ILE A 127 5.762 4.175 -9.261 1.00 24.24 H new ATOM 0 HG21 ILE A 127 8.646 6.215 -10.411 1.00 20.31 H new ATOM 0 HG22 ILE A 127 8.012 6.533 -12.043 1.00 20.31 H new ATOM 0 HG23 ILE A 127 7.291 7.347 -10.634 1.00 20.31 H new ATOM 0 HD11 ILE A 127 7.317 4.681 -7.440 1.00 0.01 H new ATOM 0 HD12 ILE A 127 8.182 3.957 -8.816 1.00 0.01 H new ATOM 0 HD13 ILE A 127 8.278 5.710 -8.528 1.00 0.01 H new ATOM 1979 N ASN A 128 6.411 5.106 -13.830 1.00 54.51 N ATOM 1980 CA ASN A 128 6.828 5.413 -15.194 1.00 41.24 C ATOM 1981 C ASN A 128 5.690 5.094 -16.160 1.00 31.14 C ATOM 1982 O ASN A 128 4.907 6.009 -16.498 1.00 54.32 O ATOM 1983 CB ASN A 128 8.084 4.613 -15.579 1.00 13.21 C ATOM 1984 CG ASN A 128 9.294 4.950 -14.727 1.00 53.11 C ATOM 1985 OD1 ASN A 128 10.077 5.842 -15.055 1.00 24.25 O ATOM 1986 ND2 ASN A 128 9.465 4.226 -13.634 1.00 32.24 N ATOM 1987 OXT ASN A 128 5.567 3.921 -16.567 1.00 0.00 O ATOM 0 H ASN A 128 6.601 4.146 -13.541 1.00 54.51 H new ATOM 0 HA ASN A 128 7.071 6.474 -15.252 1.00 41.24 H new ATOM 0 HB2 ASN A 128 7.870 3.548 -15.489 1.00 13.21 H new ATOM 0 HB3 ASN A 128 8.321 4.803 -16.626 1.00 13.21 H new ATOM 0 HD21 ASN A 128 10.268 4.398 -13.029 1.00 32.24 H new ATOM 0 HD22 ASN A 128 8.794 3.496 -13.396 1.00 32.24 H new TER 1994 ASN A 128