USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 551 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 21 LYS NZ :NH3+ -106:sc= -0.36 (180deg=0) USER MOD Set 1.2: A 65 GLN : amide:sc= -3.29 K(o=-3.6,f=-11!) USER MOD Set 2.1: A 1 MET N :NH3+ 157:sc= 0.0199 (180deg=0) USER MOD Set 2.2: A 3 HIS : no HD1:sc= -0.116 K(o=-0.096,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0505 X(o=-0.05,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.15) USER MOD Single : A 6 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.0033) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-3!,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.434 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.247 K(o=-0.25,f=-4.4!) USER MOD Single : A 28 THR OG1 : rot 165:sc= 0.221 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 111:sc= 1.28 USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -0.929 (180deg=-1.21) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.102 F(o=-1.3,f=-0.1) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -5:sc= 0.865 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0578 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -4.62! C(o=-4.6!,f=-6.3!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.1 F(o=-3.2!,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= -0.0751 (180deg=-0.384) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.089 8.859 -30.022 1.00 32.55 N ATOM 2 CA MET A 1 5.407 8.915 -29.401 1.00 1.03 C ATOM 3 C MET A 1 5.297 9.272 -27.922 1.00 13.32 C ATOM 4 O MET A 1 4.294 9.837 -27.483 1.00 24.15 O ATOM 5 CB MET A 1 6.290 9.937 -30.120 1.00 13.03 C ATOM 6 CG MET A 1 7.586 9.351 -30.655 1.00 71.31 C ATOM 7 SD MET A 1 7.834 9.697 -32.407 1.00 55.12 S ATOM 8 CE MET A 1 8.275 8.071 -33.015 1.00 3.13 C ATOM 0 H1 MET A 1 4.182 9.005 -31.048 1.00 32.55 H new ATOM 0 H2 MET A 1 3.660 7.929 -29.842 1.00 32.55 H new ATOM 0 H3 MET A 1 3.484 9.603 -29.620 1.00 32.55 H new ATOM 0 HA MET A 1 5.863 7.928 -29.485 1.00 1.03 H new ATOM 0 HB2 MET A 1 5.729 10.372 -30.947 1.00 13.03 H new ATOM 0 HB3 MET A 1 6.525 10.749 -29.432 1.00 13.03 H new ATOM 0 HG2 MET A 1 8.424 9.754 -30.087 1.00 71.31 H new ATOM 0 HG3 MET A 1 7.584 8.272 -30.498 1.00 71.31 H new ATOM 0 HE1 MET A 1 8.460 8.122 -34.088 1.00 3.13 H new ATOM 0 HE2 MET A 1 9.175 7.725 -32.508 1.00 3.13 H new ATOM 0 HE3 MET A 1 7.459 7.376 -32.820 1.00 3.13 H new ATOM 18 N HIS A 2 6.333 8.939 -27.158 1.00 53.52 N ATOM 19 CA HIS A 2 6.351 9.226 -25.728 1.00 64.11 C ATOM 20 C HIS A 2 5.168 8.567 -25.026 1.00 73.14 C ATOM 21 O HIS A 2 4.067 9.118 -24.994 1.00 73.55 O ATOM 22 CB HIS A 2 6.325 10.736 -25.488 1.00 61.35 C ATOM 23 CG HIS A 2 7.617 11.417 -25.820 1.00 52.42 C ATOM 24 ND1 HIS A 2 7.774 12.787 -25.790 1.00 64.03 N ATOM 25 CD2 HIS A 2 8.816 10.910 -26.189 1.00 4.23 C ATOM 26 CE1 HIS A 2 9.014 13.093 -26.128 1.00 25.22 C ATOM 27 NE2 HIS A 2 9.668 11.972 -26.374 1.00 72.51 N ATOM 0 H HIS A 2 7.170 8.471 -27.505 1.00 53.52 H new ATOM 0 HA HIS A 2 7.272 8.816 -25.313 1.00 64.11 H new ATOM 0 HB2 HIS A 2 5.527 11.177 -26.086 1.00 61.35 H new ATOM 0 HB3 HIS A 2 6.082 10.925 -24.442 1.00 61.35 H new ATOM 0 HD2 HIS A 2 9.058 9.865 -26.315 1.00 4.23 H new ATOM 0 HE1 HIS A 2 9.423 14.090 -26.192 1.00 25.22 H new ATOM 0 HE2 HIS A 2 10.646 11.906 -26.655 1.00 72.51 H new ATOM 35 N HIS A 3 5.402 7.384 -24.466 1.00 13.51 N ATOM 36 CA HIS A 3 4.354 6.650 -23.765 1.00 4.22 C ATOM 37 C HIS A 3 4.891 6.037 -22.475 1.00 1.11 C ATOM 38 O HIS A 3 4.951 4.815 -22.334 1.00 41.12 O ATOM 39 CB HIS A 3 3.781 5.555 -24.664 1.00 20.51 C ATOM 40 CG HIS A 3 2.806 6.063 -25.680 1.00 53.23 C ATOM 41 ND1 HIS A 3 3.177 6.843 -26.755 1.00 71.24 N ATOM 42 CD2 HIS A 3 1.466 5.898 -25.782 1.00 41.00 C ATOM 43 CE1 HIS A 3 2.108 7.137 -27.473 1.00 73.34 C ATOM 44 NE2 HIS A 3 1.056 6.575 -26.904 1.00 64.14 N ATOM 0 H HIS A 3 6.307 6.914 -24.484 1.00 13.51 H new ATOM 0 HA HIS A 3 3.560 7.352 -23.510 1.00 4.22 H new ATOM 0 HB2 HIS A 3 4.600 5.053 -25.178 1.00 20.51 H new ATOM 0 HB3 HIS A 3 3.289 4.807 -24.043 1.00 20.51 H new ATOM 0 HD2 HIS A 3 0.837 5.338 -25.106 1.00 41.00 H new ATOM 0 HE1 HIS A 3 2.096 7.735 -28.372 1.00 73.34 H new ATOM 0 HE2 HIS A 3 0.096 6.634 -27.243 1.00 64.14 H new ATOM 52 N HIS A 4 5.281 6.893 -21.536 1.00 10.33 N ATOM 53 CA HIS A 4 5.813 6.436 -20.257 1.00 61.51 C ATOM 54 C HIS A 4 4.803 6.662 -19.136 1.00 63.01 C ATOM 55 O HIS A 4 4.440 5.731 -18.417 1.00 34.12 O ATOM 56 CB HIS A 4 7.120 7.160 -19.936 1.00 4.41 C ATOM 57 CG HIS A 4 8.323 6.538 -20.575 1.00 62.22 C ATOM 58 ND1 HIS A 4 8.631 6.693 -21.910 1.00 72.44 N ATOM 59 CD2 HIS A 4 9.298 5.757 -20.054 1.00 63.21 C ATOM 60 CE1 HIS A 4 9.742 6.032 -22.183 1.00 50.34 C ATOM 61 NE2 HIS A 4 10.168 5.456 -21.074 1.00 15.03 N ATOM 0 H HIS A 4 5.239 7.907 -21.637 1.00 10.33 H new ATOM 0 HA HIS A 4 6.009 5.367 -20.335 1.00 61.51 H new ATOM 0 HB2 HIS A 4 7.041 8.197 -20.263 1.00 4.41 H new ATOM 0 HB3 HIS A 4 7.261 7.176 -18.855 1.00 4.41 H new ATOM 0 HD2 HIS A 4 9.377 5.431 -19.027 1.00 63.21 H new ATOM 0 HE1 HIS A 4 10.220 5.973 -23.149 1.00 50.34 H new ATOM 0 HE2 HIS A 4 11.006 4.881 -20.988 1.00 15.03 H new ATOM 69 N HIS A 5 4.354 7.905 -18.992 1.00 65.14 N ATOM 70 CA HIS A 5 3.387 8.254 -17.958 1.00 74.44 C ATOM 71 C HIS A 5 1.995 8.436 -18.556 1.00 51.24 C ATOM 72 O HIS A 5 1.850 8.909 -19.684 1.00 54.01 O ATOM 73 CB HIS A 5 3.817 9.532 -17.238 1.00 35.31 C ATOM 74 CG HIS A 5 4.114 10.671 -18.164 1.00 75.52 C ATOM 75 ND1 HIS A 5 3.144 11.533 -18.631 1.00 5.52 N ATOM 76 CD2 HIS A 5 5.280 11.087 -18.709 1.00 43.23 C ATOM 77 CE1 HIS A 5 3.702 12.431 -19.424 1.00 60.53 C ATOM 78 NE2 HIS A 5 4.998 12.182 -19.488 1.00 53.23 N ATOM 0 H HIS A 5 4.645 8.687 -19.579 1.00 65.14 H new ATOM 0 HA HIS A 5 3.350 7.436 -17.238 1.00 74.44 H new ATOM 0 HB2 HIS A 5 3.029 9.832 -16.547 1.00 35.31 H new ATOM 0 HB3 HIS A 5 4.703 9.321 -16.639 1.00 35.31 H new ATOM 0 HD2 HIS A 5 6.252 10.641 -18.559 1.00 43.23 H new ATOM 0 HE1 HIS A 5 3.186 13.232 -19.933 1.00 60.53 H new ATOM 0 HE2 HIS A 5 5.678 12.716 -20.028 1.00 53.23 H new ATOM 86 N HIS A 6 0.974 8.058 -17.794 1.00 30.42 N ATOM 87 CA HIS A 6 -0.406 8.180 -18.249 1.00 35.53 C ATOM 88 C HIS A 6 -1.374 8.118 -17.071 1.00 31.23 C ATOM 89 O HIS A 6 -2.260 8.963 -16.936 1.00 45.13 O ATOM 90 CB HIS A 6 -0.735 7.073 -19.252 1.00 3.41 C ATOM 91 CG HIS A 6 -1.631 7.521 -20.365 1.00 45.34 C ATOM 92 ND1 HIS A 6 -2.745 6.815 -20.765 1.00 34.11 N ATOM 93 CD2 HIS A 6 -1.572 8.612 -21.164 1.00 50.34 C ATOM 94 CE1 HIS A 6 -3.333 7.451 -21.763 1.00 1.14 C ATOM 95 NE2 HIS A 6 -2.641 8.545 -22.024 1.00 42.30 N ATOM 0 H HIS A 6 1.076 7.665 -16.858 1.00 30.42 H new ATOM 0 HA HIS A 6 -0.517 9.148 -18.738 1.00 35.53 H new ATOM 0 HB2 HIS A 6 0.193 6.690 -19.676 1.00 3.41 H new ATOM 0 HB3 HIS A 6 -1.210 6.246 -18.725 1.00 3.41 H new ATOM 0 HD2 HIS A 6 -0.824 9.390 -21.131 1.00 50.34 H new ATOM 0 HE1 HIS A 6 -4.227 7.131 -22.277 1.00 1.14 H new ATOM 0 HE2 HIS A 6 -2.864 9.229 -22.747 1.00 42.30 H new ATOM 103 N HIS A 7 -1.200 7.111 -16.220 1.00 2.31 N ATOM 104 CA HIS A 7 -2.058 6.939 -15.053 1.00 40.31 C ATOM 105 C HIS A 7 -1.946 8.137 -14.115 1.00 51.40 C ATOM 106 O HIS A 7 -2.847 8.974 -14.052 1.00 65.41 O ATOM 107 CB HIS A 7 -1.689 5.657 -14.307 1.00 71.42 C ATOM 108 CG HIS A 7 -2.634 4.523 -14.562 1.00 60.20 C ATOM 109 ND1 HIS A 7 -3.873 4.427 -13.965 1.00 31.14 N ATOM 110 CD2 HIS A 7 -2.516 3.434 -15.357 1.00 21.41 C ATOM 111 CE1 HIS A 7 -4.476 3.327 -14.380 1.00 25.14 C ATOM 112 NE2 HIS A 7 -3.673 2.706 -15.226 1.00 13.33 N ATOM 0 H HIS A 7 -0.473 6.402 -16.317 1.00 2.31 H new ATOM 0 HA HIS A 7 -3.089 6.865 -15.399 1.00 40.31 H new ATOM 0 HB2 HIS A 7 -0.683 5.354 -14.598 1.00 71.42 H new ATOM 0 HB3 HIS A 7 -1.663 5.864 -13.237 1.00 71.42 H new ATOM 0 HD2 HIS A 7 -1.669 3.184 -15.979 1.00 21.41 H new ATOM 0 HE1 HIS A 7 -5.458 2.992 -14.079 1.00 25.14 H new ATOM 0 HE2 HIS A 7 -3.879 1.829 -15.704 1.00 13.33 H new ATOM 120 N GLU A 8 -0.836 8.212 -13.388 1.00 4.10 N ATOM 121 CA GLU A 8 -0.608 9.307 -12.452 1.00 52.24 C ATOM 122 C GLU A 8 -1.648 9.294 -11.336 1.00 34.10 C ATOM 123 O GLU A 8 -2.553 8.459 -11.325 1.00 54.32 O ATOM 124 CB GLU A 8 -0.648 10.650 -13.185 1.00 64.11 C ATOM 125 CG GLU A 8 0.635 11.453 -13.053 1.00 45.13 C ATOM 126 CD GLU A 8 1.846 10.709 -13.582 1.00 43.22 C ATOM 127 OE1 GLU A 8 1.660 9.740 -14.347 1.00 25.32 O ATOM 128 OE2 GLU A 8 2.980 11.097 -13.231 1.00 43.41 O ATOM 0 H GLU A 8 -0.081 7.528 -13.429 1.00 4.10 H new ATOM 0 HA GLU A 8 0.378 9.172 -12.008 1.00 52.24 H new ATOM 0 HB2 GLU A 8 -0.848 10.472 -14.242 1.00 64.11 H new ATOM 0 HB3 GLU A 8 -1.478 11.241 -12.798 1.00 64.11 H new ATOM 0 HG2 GLU A 8 0.527 12.394 -13.592 1.00 45.13 H new ATOM 0 HG3 GLU A 8 0.796 11.703 -12.004 1.00 45.13 H new ATOM 135 N VAL A 9 -1.512 10.225 -10.397 1.00 20.32 N ATOM 136 CA VAL A 9 -2.439 10.321 -9.276 1.00 12.32 C ATOM 137 C VAL A 9 -2.608 8.973 -8.584 1.00 41.14 C ATOM 138 O VAL A 9 -3.619 8.289 -8.743 1.00 21.55 O ATOM 139 CB VAL A 9 -3.820 10.828 -9.732 1.00 12.42 C ATOM 140 CG1 VAL A 9 -4.773 10.921 -8.549 1.00 65.33 C ATOM 141 CG2 VAL A 9 -3.690 12.175 -10.428 1.00 63.42 C ATOM 0 H VAL A 9 -0.769 10.923 -10.391 1.00 20.32 H new ATOM 0 HA VAL A 9 -2.011 11.035 -8.573 1.00 12.32 H new ATOM 0 HB VAL A 9 -4.232 10.114 -10.445 1.00 12.42 H new ATOM 0 HG11 VAL A 9 -5.743 11.281 -8.891 1.00 65.33 H new ATOM 0 HG12 VAL A 9 -4.890 9.936 -8.098 1.00 65.33 H new ATOM 0 HG13 VAL A 9 -4.369 11.613 -7.810 1.00 65.33 H new ATOM 0 HG21 VAL A 9 -4.675 12.518 -10.744 1.00 63.42 H new ATOM 0 HG22 VAL A 9 -3.257 12.900 -9.739 1.00 63.42 H new ATOM 0 HG23 VAL A 9 -3.045 12.073 -11.301 1.00 63.42 H new ATOM 151 N PRO A 10 -1.595 8.581 -7.798 1.00 22.32 N ATOM 152 CA PRO A 10 -1.608 7.311 -7.065 1.00 5.32 C ATOM 153 C PRO A 10 -2.622 7.310 -5.926 1.00 25.40 C ATOM 154 O PRO A 10 -2.256 7.435 -4.758 1.00 4.32 O ATOM 155 CB PRO A 10 -0.184 7.206 -6.513 1.00 64.11 C ATOM 156 CG PRO A 10 0.293 8.615 -6.422 1.00 73.44 C ATOM 157 CD PRO A 10 -0.359 9.346 -7.563 1.00 50.30 C ATOM 0 HA PRO A 10 -1.896 6.475 -7.703 1.00 5.32 H new ATOM 0 HB2 PRO A 10 -0.173 6.721 -5.537 1.00 64.11 H new ATOM 0 HB3 PRO A 10 0.453 6.614 -7.171 1.00 64.11 H new ATOM 0 HG2 PRO A 10 0.018 9.059 -5.465 1.00 73.44 H new ATOM 0 HG3 PRO A 10 1.379 8.665 -6.496 1.00 73.44 H new ATOM 0 HD2 PRO A 10 -0.572 10.384 -7.306 1.00 50.30 H new ATOM 0 HD3 PRO A 10 0.278 9.361 -8.447 1.00 50.30 H new ATOM 165 N GLN A 11 -3.896 7.166 -6.275 1.00 0.02 N ATOM 166 CA GLN A 11 -4.962 7.148 -5.280 1.00 52.33 C ATOM 167 C GLN A 11 -6.321 6.944 -5.943 1.00 2.15 C ATOM 168 O GLN A 11 -7.202 6.285 -5.388 1.00 45.43 O ATOM 169 CB GLN A 11 -4.963 8.451 -4.479 1.00 42.42 C ATOM 170 CG GLN A 11 -4.954 9.699 -5.347 1.00 55.32 C ATOM 171 CD GLN A 11 -3.824 10.647 -4.997 1.00 21.53 C ATOM 172 OE1 GLN A 11 -2.669 10.447 -5.621 1.00 73.43 O flip ATOM 173 NE2 GLN A 11 -3.986 11.548 -4.173 1.00 52.33 N flip ATOM 0 H GLN A 11 -4.215 7.060 -7.238 1.00 0.02 H new ATOM 0 HA GLN A 11 -4.779 6.314 -4.603 1.00 52.33 H new ATOM 0 HB2 GLN A 11 -5.843 8.472 -3.836 1.00 42.42 H new ATOM 0 HB3 GLN A 11 -4.091 8.467 -3.826 1.00 42.42 H new ATOM 0 HG2 GLN A 11 -4.867 9.408 -6.394 1.00 55.32 H new ATOM 0 HG3 GLN A 11 -5.906 10.219 -5.238 1.00 55.32 H new ATOM 0 HE21 GLN A 11 -4.891 11.666 -3.717 1.00 52.33 H new ATOM 0 HE22 GLN A 11 -3.215 12.177 -3.946 1.00 52.33 H new ATOM 182 N THR A 12 -6.485 7.514 -7.132 1.00 75.25 N ATOM 183 CA THR A 12 -7.737 7.396 -7.870 1.00 30.22 C ATOM 184 C THR A 12 -7.615 8.006 -9.262 1.00 21.45 C ATOM 185 O THR A 12 -7.486 7.290 -10.255 1.00 20.32 O ATOM 186 CB THR A 12 -8.896 8.080 -7.122 1.00 15.44 C ATOM 187 OG1 THR A 12 -8.389 8.828 -6.011 1.00 50.30 O ATOM 188 CG2 THR A 12 -9.905 7.053 -6.629 1.00 65.15 C ATOM 0 H THR A 12 -5.767 8.062 -7.605 1.00 75.25 H new ATOM 0 HA THR A 12 -7.951 6.331 -7.961 1.00 30.22 H new ATOM 0 HB THR A 12 -9.398 8.755 -7.816 1.00 15.44 H new ATOM 0 HG1 THR A 12 -9.132 9.261 -5.542 1.00 50.30 H new ATOM 0 HG21 THR A 12 -10.714 7.561 -6.104 1.00 65.15 H new ATOM 0 HG22 THR A 12 -10.312 6.505 -7.479 1.00 65.15 H new ATOM 0 HG23 THR A 12 -9.413 6.356 -5.950 1.00 65.15 H new ATOM 196 N PHE A 13 -7.656 9.332 -9.327 1.00 4.32 N ATOM 197 CA PHE A 13 -7.550 10.039 -10.598 1.00 64.20 C ATOM 198 C PHE A 13 -7.553 11.549 -10.383 1.00 11.43 C ATOM 199 O PHE A 13 -7.544 12.024 -9.248 1.00 0.44 O ATOM 200 CB PHE A 13 -8.701 9.642 -11.524 1.00 71.40 C ATOM 201 CG PHE A 13 -10.058 9.846 -10.914 1.00 74.03 C ATOM 202 CD1 PHE A 13 -10.656 11.096 -10.925 1.00 1.15 C ATOM 203 CD2 PHE A 13 -10.737 8.788 -10.331 1.00 71.04 C ATOM 204 CE1 PHE A 13 -11.904 11.287 -10.363 1.00 75.14 C ATOM 205 CE2 PHE A 13 -11.986 8.973 -9.769 1.00 72.31 C ATOM 206 CZ PHE A 13 -12.571 10.224 -9.786 1.00 60.31 C ATOM 0 H PHE A 13 -7.762 9.939 -8.514 1.00 4.32 H new ATOM 0 HA PHE A 13 -6.605 9.758 -11.063 1.00 64.20 H new ATOM 0 HB2 PHE A 13 -8.634 10.223 -12.444 1.00 71.40 H new ATOM 0 HB3 PHE A 13 -8.589 8.594 -11.800 1.00 71.40 H new ATOM 0 HD1 PHE A 13 -10.141 11.930 -11.378 1.00 1.15 H new ATOM 0 HD2 PHE A 13 -10.285 7.807 -10.316 1.00 71.04 H new ATOM 0 HE1 PHE A 13 -12.358 12.267 -10.375 1.00 75.14 H new ATOM 0 HE2 PHE A 13 -12.504 8.140 -9.317 1.00 72.31 H new ATOM 0 HZ PHE A 13 -13.548 10.371 -9.349 1.00 60.31 H new ATOM 216 N GLU A 14 -7.566 12.298 -11.481 1.00 61.23 N ATOM 217 CA GLU A 14 -7.569 13.754 -11.413 1.00 11.44 C ATOM 218 C GLU A 14 -8.498 14.347 -12.468 1.00 61.24 C ATOM 219 O GLU A 14 -8.900 13.664 -13.411 1.00 15.43 O ATOM 220 CB GLU A 14 -6.152 14.299 -11.601 1.00 3.11 C ATOM 221 CG GLU A 14 -5.492 13.846 -12.893 1.00 13.42 C ATOM 222 CD GLU A 14 -4.083 14.383 -13.048 1.00 4.24 C ATOM 223 OE1 GLU A 14 -3.607 15.077 -12.125 1.00 24.31 O ATOM 224 OE2 GLU A 14 -3.456 14.109 -14.092 1.00 45.04 O ATOM 0 H GLU A 14 -7.575 11.920 -12.428 1.00 61.23 H new ATOM 0 HA GLU A 14 -7.934 14.045 -10.428 1.00 11.44 H new ATOM 0 HB2 GLU A 14 -6.185 15.388 -11.582 1.00 3.11 H new ATOM 0 HB3 GLU A 14 -5.536 13.985 -10.759 1.00 3.11 H new ATOM 0 HG2 GLU A 14 -5.467 12.757 -12.921 1.00 13.42 H new ATOM 0 HG3 GLU A 14 -6.096 14.173 -13.739 1.00 13.42 H new ATOM 231 N VAL A 15 -8.835 15.622 -12.303 1.00 41.13 N ATOM 232 CA VAL A 15 -9.716 16.308 -13.241 1.00 63.33 C ATOM 233 C VAL A 15 -8.991 17.454 -13.938 1.00 61.54 C ATOM 234 O VAL A 15 -8.060 18.039 -13.386 1.00 70.13 O ATOM 235 CB VAL A 15 -10.967 16.861 -12.534 1.00 51.12 C ATOM 236 CG1 VAL A 15 -11.953 17.418 -13.550 1.00 64.24 C ATOM 237 CG2 VAL A 15 -11.619 15.782 -11.683 1.00 62.43 C ATOM 0 H VAL A 15 -8.511 16.201 -11.528 1.00 41.13 H new ATOM 0 HA VAL A 15 -10.023 15.571 -13.983 1.00 63.33 H new ATOM 0 HB VAL A 15 -10.661 17.675 -11.877 1.00 51.12 H new ATOM 0 HG11 VAL A 15 -12.831 17.804 -13.031 1.00 64.24 H new ATOM 0 HG12 VAL A 15 -11.480 18.223 -14.112 1.00 64.24 H new ATOM 0 HG13 VAL A 15 -12.256 16.626 -14.235 1.00 64.24 H new ATOM 0 HG21 VAL A 15 -12.502 16.191 -11.191 1.00 62.43 H new ATOM 0 HG22 VAL A 15 -11.912 14.946 -12.318 1.00 62.43 H new ATOM 0 HG23 VAL A 15 -10.911 15.435 -10.930 1.00 62.43 H new ATOM 247 N GLU A 16 -9.425 17.768 -15.155 1.00 11.31 N ATOM 248 CA GLU A 16 -8.816 18.845 -15.928 1.00 35.24 C ATOM 249 C GLU A 16 -9.100 20.201 -15.288 1.00 40.03 C ATOM 250 O GLU A 16 -8.203 20.838 -14.735 1.00 33.10 O ATOM 251 CB GLU A 16 -9.338 18.828 -17.366 1.00 61.21 C ATOM 252 CG GLU A 16 -8.262 18.542 -18.400 1.00 41.12 C ATOM 253 CD GLU A 16 -7.643 19.807 -18.963 1.00 74.12 C ATOM 254 OE1 GLU A 16 -7.861 20.886 -18.374 1.00 15.31 O ATOM 255 OE2 GLU A 16 -6.942 19.718 -19.992 1.00 60.13 O ATOM 0 H GLU A 16 -10.195 17.293 -15.626 1.00 11.31 H new ATOM 0 HA GLU A 16 -7.738 18.686 -15.939 1.00 35.24 H new ATOM 0 HB2 GLU A 16 -10.121 18.074 -17.451 1.00 61.21 H new ATOM 0 HB3 GLU A 16 -9.797 19.791 -17.588 1.00 61.21 H new ATOM 0 HG2 GLU A 16 -7.482 17.930 -17.947 1.00 41.12 H new ATOM 0 HG3 GLU A 16 -8.692 17.959 -19.214 1.00 41.12 H new ATOM 262 N ARG A 17 -10.353 20.636 -15.369 1.00 40.43 N ATOM 263 CA ARG A 17 -10.755 21.917 -14.801 1.00 10.33 C ATOM 264 C ARG A 17 -12.262 22.119 -14.927 1.00 52.32 C ATOM 265 O ARG A 17 -12.929 21.423 -15.693 1.00 54.00 O ATOM 266 CB ARG A 17 -10.016 23.062 -15.496 1.00 11.42 C ATOM 267 CG ARG A 17 -10.764 23.634 -16.689 1.00 10.41 C ATOM 268 CD ARG A 17 -11.047 22.566 -17.733 1.00 41.15 C ATOM 269 NE ARG A 17 -10.786 23.043 -19.089 1.00 3.11 N ATOM 270 CZ ARG A 17 -11.514 23.975 -19.693 1.00 11.40 C ATOM 271 NH1 ARG A 17 -12.543 24.528 -19.065 1.00 4.11 N ATOM 272 NH2 ARG A 17 -11.214 24.357 -20.928 1.00 23.11 N ATOM 0 H ARG A 17 -11.107 20.120 -15.822 1.00 40.43 H new ATOM 0 HA ARG A 17 -10.494 21.915 -13.743 1.00 10.33 H new ATOM 0 HB2 ARG A 17 -9.837 23.859 -14.774 1.00 11.42 H new ATOM 0 HB3 ARG A 17 -9.040 22.706 -15.826 1.00 11.42 H new ATOM 0 HG2 ARG A 17 -11.703 24.075 -16.354 1.00 10.41 H new ATOM 0 HG3 ARG A 17 -10.177 24.436 -17.137 1.00 10.41 H new ATOM 0 HD2 ARG A 17 -10.430 21.690 -17.532 1.00 41.15 H new ATOM 0 HD3 ARG A 17 -12.087 22.249 -17.654 1.00 41.15 H new ATOM 0 HE ARG A 17 -10.002 22.638 -19.600 1.00 3.11 H new ATOM 0 HH11 ARG A 17 -12.777 24.238 -18.116 1.00 4.11 H new ATOM 0 HH12 ARG A 17 -13.100 25.244 -19.531 1.00 4.11 H new ATOM 0 HH21 ARG A 17 -10.423 23.935 -21.415 1.00 23.11 H new ATOM 0 HH22 ARG A 17 -11.774 25.073 -21.391 1.00 23.11 H new ATOM 286 N ILE A 18 -12.791 23.075 -14.171 1.00 53.32 N ATOM 287 CA ILE A 18 -14.219 23.369 -14.200 1.00 22.44 C ATOM 288 C ILE A 18 -14.654 23.848 -15.580 1.00 73.42 C ATOM 289 O ILE A 18 -13.956 24.628 -16.228 1.00 22.34 O ATOM 290 CB ILE A 18 -14.595 24.437 -13.156 1.00 22.22 C ATOM 291 CG1 ILE A 18 -14.087 24.029 -11.771 1.00 44.53 C ATOM 292 CG2 ILE A 18 -16.101 24.647 -13.132 1.00 54.13 C ATOM 293 CD1 ILE A 18 -14.808 22.833 -11.191 1.00 10.44 C ATOM 0 H ILE A 18 -12.253 23.659 -13.531 1.00 53.32 H new ATOM 0 HA ILE A 18 -14.737 22.440 -13.961 1.00 22.44 H new ATOM 0 HB ILE A 18 -14.121 25.378 -13.434 1.00 22.22 H new ATOM 0 HG12 ILE A 18 -13.022 23.805 -11.835 1.00 44.53 H new ATOM 0 HG13 ILE A 18 -14.195 24.873 -11.090 1.00 44.53 H new ATOM 0 HG21 ILE A 18 -16.351 25.405 -12.389 1.00 54.13 H new ATOM 0 HG22 ILE A 18 -16.438 24.977 -14.115 1.00 54.13 H new ATOM 0 HG23 ILE A 18 -16.595 23.710 -12.875 1.00 54.13 H new ATOM 0 HD11 ILE A 18 -14.396 22.601 -10.209 1.00 10.44 H new ATOM 0 HD12 ILE A 18 -15.870 23.060 -11.095 1.00 10.44 H new ATOM 0 HD13 ILE A 18 -14.679 21.975 -11.851 1.00 10.44 H new ATOM 305 N VAL A 19 -15.815 23.376 -16.025 1.00 41.32 N ATOM 306 CA VAL A 19 -16.346 23.758 -17.328 1.00 51.51 C ATOM 307 C VAL A 19 -17.420 24.832 -17.190 1.00 70.24 C ATOM 308 O VAL A 19 -17.273 25.941 -17.703 1.00 44.24 O ATOM 309 CB VAL A 19 -16.940 22.546 -18.070 1.00 3.12 C ATOM 310 CG1 VAL A 19 -17.321 22.925 -19.493 1.00 32.23 C ATOM 311 CG2 VAL A 19 -15.957 21.385 -18.064 1.00 20.14 C ATOM 0 H VAL A 19 -16.405 22.729 -15.502 1.00 41.32 H new ATOM 0 HA VAL A 19 -15.511 24.155 -17.906 1.00 51.51 H new ATOM 0 HB VAL A 19 -17.844 22.230 -17.549 1.00 3.12 H new ATOM 0 HG11 VAL A 19 -17.739 22.056 -20.001 1.00 32.23 H new ATOM 0 HG12 VAL A 19 -18.062 23.724 -19.471 1.00 32.23 H new ATOM 0 HG13 VAL A 19 -16.435 23.267 -20.028 1.00 32.23 H new ATOM 0 HG21 VAL A 19 -16.392 20.537 -18.592 1.00 20.14 H new ATOM 0 HG22 VAL A 19 -15.035 21.687 -18.560 1.00 20.14 H new ATOM 0 HG23 VAL A 19 -15.739 21.098 -17.035 1.00 20.14 H new ATOM 321 N ARG A 20 -18.500 24.494 -16.494 1.00 14.10 N ATOM 322 CA ARG A 20 -19.600 25.429 -16.289 1.00 73.10 C ATOM 323 C ARG A 20 -20.095 25.379 -14.846 1.00 62.34 C ATOM 324 O ARG A 20 -19.501 24.713 -13.998 1.00 33.32 O ATOM 325 CB ARG A 20 -20.752 25.112 -17.245 1.00 44.44 C ATOM 326 CG ARG A 20 -20.312 24.929 -18.689 1.00 4.14 C ATOM 327 CD ARG A 20 -20.563 23.509 -19.172 1.00 3.24 C ATOM 328 NE ARG A 20 -20.308 23.365 -20.602 1.00 75.34 N ATOM 329 CZ ARG A 20 -21.108 23.853 -21.544 1.00 33.21 C ATOM 330 NH1 ARG A 20 -22.207 24.514 -21.208 1.00 33.14 N ATOM 331 NH2 ARG A 20 -20.809 23.680 -22.825 1.00 52.42 N ATOM 0 H ARG A 20 -18.637 23.580 -16.063 1.00 14.10 H new ATOM 0 HA ARG A 20 -19.232 26.434 -16.494 1.00 73.10 H new ATOM 0 HB2 ARG A 20 -21.253 24.204 -16.909 1.00 44.44 H new ATOM 0 HB3 ARG A 20 -21.485 25.917 -17.197 1.00 44.44 H new ATOM 0 HG2 ARG A 20 -20.849 25.632 -19.326 1.00 4.14 H new ATOM 0 HG3 ARG A 20 -19.251 25.163 -18.780 1.00 4.14 H new ATOM 0 HD2 ARG A 20 -19.925 22.820 -18.619 1.00 3.24 H new ATOM 0 HD3 ARG A 20 -21.595 23.230 -18.958 1.00 3.24 H new ATOM 0 HE ARG A 20 -19.470 22.862 -20.894 1.00 75.34 H new ATOM 0 HH11 ARG A 20 -22.440 24.649 -20.224 1.00 33.14 H new ATOM 0 HH12 ARG A 20 -22.819 24.888 -21.933 1.00 33.14 H new ATOM 0 HH21 ARG A 20 -19.964 23.172 -23.087 1.00 52.42 H new ATOM 0 HH22 ARG A 20 -21.424 24.055 -23.547 1.00 52.42 H new ATOM 345 N LYS A 21 -21.185 26.088 -14.575 1.00 72.22 N ATOM 346 CA LYS A 21 -21.761 26.125 -13.236 1.00 72.42 C ATOM 347 C LYS A 21 -23.182 26.679 -13.270 1.00 4.50 C ATOM 348 O LYS A 21 -23.513 27.516 -14.111 1.00 20.51 O ATOM 349 CB LYS A 21 -20.892 26.976 -12.308 1.00 22.31 C ATOM 350 CG LYS A 21 -21.093 28.471 -12.487 1.00 61.53 C ATOM 351 CD LYS A 21 -20.672 29.243 -11.248 1.00 63.42 C ATOM 352 CE LYS A 21 -21.631 30.384 -10.950 1.00 14.31 C ATOM 353 NZ LYS A 21 -20.955 31.507 -10.243 1.00 41.24 N ATOM 0 H LYS A 21 -21.688 26.645 -15.265 1.00 72.22 H new ATOM 0 HA LYS A 21 -21.797 25.104 -12.855 1.00 72.42 H new ATOM 0 HB2 LYS A 21 -21.111 26.710 -11.274 1.00 22.31 H new ATOM 0 HB3 LYS A 21 -19.844 26.735 -12.484 1.00 22.31 H new ATOM 0 HG2 LYS A 21 -20.516 28.816 -13.345 1.00 61.53 H new ATOM 0 HG3 LYS A 21 -22.141 28.674 -12.705 1.00 61.53 H new ATOM 0 HD2 LYS A 21 -20.632 28.568 -10.393 1.00 63.42 H new ATOM 0 HD3 LYS A 21 -19.666 29.639 -11.389 1.00 63.42 H new ATOM 0 HE2 LYS A 21 -22.062 30.749 -11.882 1.00 14.31 H new ATOM 0 HE3 LYS A 21 -22.456 30.015 -10.340 1.00 14.31 H new ATOM 0 HZ1 LYS A 21 -21.242 31.511 -9.243 1.00 41.24 H new ATOM 0 HZ2 LYS A 21 -19.924 31.387 -10.307 1.00 41.24 H new ATOM 0 HZ3 LYS A 21 -21.226 32.409 -10.685 1.00 41.24 H new ATOM 367 N LYS A 22 -24.017 26.210 -12.350 1.00 12.23 N ATOM 368 CA LYS A 22 -25.402 26.661 -12.272 1.00 23.04 C ATOM 369 C LYS A 22 -26.073 26.139 -11.005 1.00 51.22 C ATOM 370 O LYS A 22 -25.791 25.028 -10.555 1.00 13.30 O ATOM 371 CB LYS A 22 -26.181 26.196 -13.504 1.00 33.14 C ATOM 372 CG LYS A 22 -26.517 24.715 -13.488 1.00 24.42 C ATOM 373 CD LYS A 22 -28.000 24.481 -13.254 1.00 63.01 C ATOM 374 CE LYS A 22 -28.687 23.965 -14.509 1.00 31.42 C ATOM 375 NZ LYS A 22 -30.171 24.008 -14.386 1.00 64.12 N ATOM 0 H LYS A 22 -23.759 25.517 -11.647 1.00 12.23 H new ATOM 0 HA LYS A 22 -25.403 27.751 -12.240 1.00 23.04 H new ATOM 0 HB2 LYS A 22 -27.105 26.769 -13.576 1.00 33.14 H new ATOM 0 HB3 LYS A 22 -25.598 26.418 -14.398 1.00 33.14 H new ATOM 0 HG2 LYS A 22 -26.222 24.264 -14.435 1.00 24.42 H new ATOM 0 HG3 LYS A 22 -25.942 24.219 -12.706 1.00 24.42 H new ATOM 0 HD2 LYS A 22 -28.133 23.764 -12.444 1.00 63.01 H new ATOM 0 HD3 LYS A 22 -28.471 25.411 -12.936 1.00 63.01 H new ATOM 0 HE2 LYS A 22 -28.376 24.563 -15.365 1.00 31.42 H new ATOM 0 HE3 LYS A 22 -28.368 22.941 -14.703 1.00 31.42 H new ATOM 0 HZ1 LYS A 22 -30.602 23.648 -15.261 1.00 64.12 H new ATOM 0 HZ2 LYS A 22 -30.470 23.417 -13.584 1.00 64.12 H new ATOM 0 HZ3 LYS A 22 -30.478 24.989 -14.226 1.00 64.12 H new ATOM 389 N ILE A 23 -26.962 26.947 -10.437 1.00 32.42 N ATOM 390 CA ILE A 23 -27.675 26.564 -9.224 1.00 51.33 C ATOM 391 C ILE A 23 -29.140 26.263 -9.520 1.00 33.51 C ATOM 392 O ILE A 23 -29.728 26.827 -10.443 1.00 2.23 O ATOM 393 CB ILE A 23 -27.596 27.668 -8.153 1.00 40.01 C ATOM 394 CG1 ILE A 23 -28.660 28.737 -8.411 1.00 60.22 C ATOM 395 CG2 ILE A 23 -26.207 28.289 -8.134 1.00 53.11 C ATOM 396 CD1 ILE A 23 -29.942 28.512 -7.641 1.00 30.34 C ATOM 0 H ILE A 23 -27.206 27.870 -10.797 1.00 32.42 H new ATOM 0 HA ILE A 23 -27.191 25.664 -8.844 1.00 51.33 H new ATOM 0 HB ILE A 23 -27.786 27.221 -7.177 1.00 40.01 H new ATOM 0 HG12 ILE A 23 -28.254 29.713 -8.147 1.00 60.22 H new ATOM 0 HG13 ILE A 23 -28.886 28.763 -9.477 1.00 60.22 H new ATOM 0 HG21 ILE A 23 -26.167 29.067 -7.372 1.00 53.11 H new ATOM 0 HG22 ILE A 23 -25.468 27.521 -7.907 1.00 53.11 H new ATOM 0 HG23 ILE A 23 -25.990 28.724 -9.109 1.00 53.11 H new ATOM 0 HD11 ILE A 23 -30.650 29.308 -7.873 1.00 30.34 H new ATOM 0 HD12 ILE A 23 -30.372 27.551 -7.922 1.00 30.34 H new ATOM 0 HD13 ILE A 23 -29.730 28.515 -6.572 1.00 30.34 H new ATOM 408 N VAL A 24 -29.726 25.369 -8.729 1.00 11.10 N ATOM 409 CA VAL A 24 -31.124 24.994 -8.904 1.00 32.15 C ATOM 410 C VAL A 24 -31.845 24.921 -7.562 1.00 71.52 C ATOM 411 O VAL A 24 -31.444 24.173 -6.669 1.00 42.24 O ATOM 412 CB VAL A 24 -31.256 23.637 -9.620 1.00 22.55 C ATOM 413 CG1 VAL A 24 -32.468 23.632 -10.538 1.00 15.42 C ATOM 414 CG2 VAL A 24 -29.987 23.319 -10.397 1.00 12.43 C ATOM 0 H VAL A 24 -29.254 24.891 -7.961 1.00 11.10 H new ATOM 0 HA VAL A 24 -31.585 25.767 -9.519 1.00 32.15 H new ATOM 0 HB VAL A 24 -31.398 22.862 -8.867 1.00 22.55 H new ATOM 0 HG11 VAL A 24 -32.544 22.665 -11.035 1.00 15.42 H new ATOM 0 HG12 VAL A 24 -33.369 23.811 -9.952 1.00 15.42 H new ATOM 0 HG13 VAL A 24 -32.361 24.417 -11.287 1.00 15.42 H new ATOM 0 HG21 VAL A 24 -30.098 22.357 -10.897 1.00 12.43 H new ATOM 0 HG22 VAL A 24 -29.812 24.096 -11.141 1.00 12.43 H new ATOM 0 HG23 VAL A 24 -29.141 23.276 -9.711 1.00 12.43 H new ATOM 424 N HIS A 25 -32.913 25.701 -7.427 1.00 5.12 N ATOM 425 CA HIS A 25 -33.691 25.724 -6.194 1.00 14.02 C ATOM 426 C HIS A 25 -32.806 26.065 -4.999 1.00 35.15 C ATOM 427 O HIS A 25 -33.116 25.708 -3.863 1.00 0.24 O ATOM 428 CB HIS A 25 -34.372 24.373 -5.970 1.00 50.34 C ATOM 429 CG HIS A 25 -35.797 24.487 -5.522 1.00 5.30 C ATOM 430 ND1 HIS A 25 -36.854 24.606 -6.399 1.00 12.14 N ATOM 431 CD2 HIS A 25 -36.336 24.498 -4.281 1.00 3.45 C ATOM 432 CE1 HIS A 25 -37.982 24.687 -5.716 1.00 12.12 C ATOM 433 NE2 HIS A 25 -37.695 24.624 -4.428 1.00 72.31 N ATOM 0 H HIS A 25 -33.259 26.325 -8.156 1.00 5.12 H new ATOM 0 HA HIS A 25 -34.455 26.496 -6.290 1.00 14.02 H new ATOM 0 HB2 HIS A 25 -34.336 23.799 -6.896 1.00 50.34 H new ATOM 0 HB3 HIS A 25 -33.809 23.811 -5.225 1.00 50.34 H new ATOM 0 HD2 HIS A 25 -35.797 24.422 -3.348 1.00 3.45 H new ATOM 0 HE1 HIS A 25 -38.971 24.788 -6.139 1.00 12.12 H new ATOM 0 HE2 HIS A 25 -38.373 24.663 -3.667 1.00 72.31 H new ATOM 441 N GLY A 26 -31.703 26.758 -5.264 1.00 22.44 N ATOM 442 CA GLY A 26 -30.790 27.134 -4.200 1.00 61.01 C ATOM 443 C GLY A 26 -29.633 26.165 -4.059 1.00 61.12 C ATOM 444 O GLY A 26 -28.824 26.283 -3.140 1.00 13.03 O ATOM 0 H GLY A 26 -31.425 27.066 -6.196 1.00 22.44 H new ATOM 0 HA2 GLY A 26 -30.401 28.133 -4.395 1.00 61.01 H new ATOM 0 HA3 GLY A 26 -31.336 27.183 -3.258 1.00 61.01 H new ATOM 448 N ASN A 27 -29.555 25.202 -4.972 1.00 44.44 N ATOM 449 CA ASN A 27 -28.489 24.207 -4.944 1.00 50.03 C ATOM 450 C ASN A 27 -27.486 24.452 -6.068 1.00 33.32 C ATOM 451 O ASN A 27 -27.767 24.183 -7.236 1.00 74.22 O ATOM 452 CB ASN A 27 -29.075 22.799 -5.066 1.00 62.21 C ATOM 453 CG ASN A 27 -29.958 22.436 -3.888 1.00 53.21 C ATOM 454 OD1 ASN A 27 -30.630 23.294 -3.314 1.00 64.12 O ATOM 455 ND2 ASN A 27 -29.962 21.160 -3.522 1.00 25.30 N ATOM 0 H ASN A 27 -30.217 25.090 -5.740 1.00 44.44 H new ATOM 0 HA ASN A 27 -27.968 24.295 -3.991 1.00 50.03 H new ATOM 0 HB2 ASN A 27 -29.655 22.728 -5.986 1.00 62.21 H new ATOM 0 HB3 ASN A 27 -28.263 22.076 -5.144 1.00 62.21 H new ATOM 0 HD21 ASN A 27 -30.538 20.857 -2.737 1.00 25.30 H new ATOM 0 HD22 ASN A 27 -29.390 20.483 -4.026 1.00 25.30 H new ATOM 462 N THR A 28 -26.314 24.964 -5.706 1.00 63.51 N ATOM 463 CA THR A 28 -25.269 25.245 -6.682 1.00 40.34 C ATOM 464 C THR A 28 -24.712 23.958 -7.279 1.00 20.43 C ATOM 465 O THR A 28 -24.639 22.931 -6.604 1.00 73.41 O ATOM 466 CB THR A 28 -24.114 26.048 -6.054 1.00 14.02 C ATOM 467 OG1 THR A 28 -24.632 26.999 -5.116 1.00 71.44 O ATOM 468 CG2 THR A 28 -23.311 26.770 -7.125 1.00 53.21 C ATOM 0 H THR A 28 -26.065 25.193 -4.744 1.00 63.51 H new ATOM 0 HA THR A 28 -25.728 25.840 -7.472 1.00 40.34 H new ATOM 0 HB THR A 28 -23.455 25.350 -5.537 1.00 14.02 H new ATOM 0 HG1 THR A 28 -23.902 27.338 -4.557 1.00 71.44 H new ATOM 0 HG21 THR A 28 -22.501 27.330 -6.657 1.00 53.21 H new ATOM 0 HG22 THR A 28 -22.894 26.041 -7.820 1.00 53.21 H new ATOM 0 HG23 THR A 28 -23.962 27.457 -7.666 1.00 53.21 H new ATOM 476 N SER A 29 -24.319 24.020 -8.547 1.00 30.20 N ATOM 477 CA SER A 29 -23.771 22.857 -9.235 1.00 61.12 C ATOM 478 C SER A 29 -22.642 23.265 -10.177 1.00 11.11 C ATOM 479 O SER A 29 -22.800 24.169 -10.998 1.00 62.10 O ATOM 480 CB SER A 29 -24.870 22.137 -10.020 1.00 3.43 C ATOM 481 OG SER A 29 -25.973 21.828 -9.186 1.00 2.23 O ATOM 0 H SER A 29 -24.370 24.863 -9.119 1.00 30.20 H new ATOM 0 HA SER A 29 -23.367 22.179 -8.484 1.00 61.12 H new ATOM 0 HB2 SER A 29 -25.200 22.764 -10.848 1.00 3.43 H new ATOM 0 HB3 SER A 29 -24.470 21.221 -10.454 1.00 3.43 H new ATOM 0 HG SER A 29 -26.662 21.370 -9.711 1.00 2.23 H new ATOM 487 N TYR A 30 -21.503 22.593 -10.051 1.00 75.44 N ATOM 488 CA TYR A 30 -20.346 22.886 -10.889 1.00 34.12 C ATOM 489 C TYR A 30 -20.166 21.817 -11.962 1.00 63.11 C ATOM 490 O TYR A 30 -20.018 20.633 -11.657 1.00 73.53 O ATOM 491 CB TYR A 30 -19.083 22.984 -10.033 1.00 24.54 C ATOM 492 CG TYR A 30 -18.911 24.325 -9.357 1.00 11.30 C ATOM 493 CD1 TYR A 30 -19.907 24.847 -8.541 1.00 54.24 C ATOM 494 CD2 TYR A 30 -17.752 25.071 -9.534 1.00 23.34 C ATOM 495 CE1 TYR A 30 -19.755 26.073 -7.923 1.00 31.10 C ATOM 496 CE2 TYR A 30 -17.590 26.297 -8.918 1.00 32.22 C ATOM 497 CZ TYR A 30 -18.595 26.794 -8.114 1.00 22.20 C ATOM 498 OH TYR A 30 -18.439 28.015 -7.498 1.00 64.45 O ATOM 0 H TYR A 30 -21.356 21.842 -9.377 1.00 75.44 H new ATOM 0 HA TYR A 30 -20.518 23.843 -11.381 1.00 34.12 H new ATOM 0 HB2 TYR A 30 -19.109 22.204 -9.272 1.00 24.54 H new ATOM 0 HB3 TYR A 30 -18.213 22.789 -10.660 1.00 24.54 H new ATOM 0 HD1 TYR A 30 -20.816 24.284 -8.387 1.00 54.24 H new ATOM 0 HD2 TYR A 30 -16.964 24.686 -10.164 1.00 23.34 H new ATOM 0 HE1 TYR A 30 -20.540 26.465 -7.294 1.00 31.10 H new ATOM 0 HE2 TYR A 30 -16.682 26.863 -9.065 1.00 32.22 H new ATOM 0 HH TYR A 30 -17.752 27.945 -6.802 1.00 64.45 H new ATOM 508 N LEU A 31 -20.177 22.243 -13.220 1.00 55.31 N ATOM 509 CA LEU A 31 -20.014 21.324 -14.341 1.00 52.22 C ATOM 510 C LEU A 31 -18.540 21.150 -14.692 1.00 71.30 C ATOM 511 O LEU A 31 -17.920 22.040 -15.273 1.00 43.21 O ATOM 512 CB LEU A 31 -20.784 21.835 -15.561 1.00 24.41 C ATOM 513 CG LEU A 31 -20.701 20.967 -16.818 1.00 12.35 C ATOM 514 CD1 LEU A 31 -20.463 19.512 -16.447 1.00 34.32 C ATOM 515 CD2 LEU A 31 -21.969 21.108 -17.647 1.00 13.12 C ATOM 0 H LEU A 31 -20.297 23.219 -13.490 1.00 55.31 H new ATOM 0 HA LEU A 31 -20.415 20.354 -14.046 1.00 52.22 H new ATOM 0 HB2 LEU A 31 -21.833 21.941 -15.285 1.00 24.41 H new ATOM 0 HB3 LEU A 31 -20.417 22.831 -15.807 1.00 24.41 H new ATOM 0 HG LEU A 31 -19.858 21.309 -17.418 1.00 12.35 H new ATOM 0 HD11 LEU A 31 -20.407 18.910 -17.354 1.00 34.32 H new ATOM 0 HD12 LEU A 31 -19.527 19.426 -15.895 1.00 34.32 H new ATOM 0 HD13 LEU A 31 -21.285 19.156 -15.825 1.00 34.32 H new ATOM 0 HD21 LEU A 31 -21.893 20.484 -18.537 1.00 13.12 H new ATOM 0 HD22 LEU A 31 -22.828 20.792 -17.055 1.00 13.12 H new ATOM 0 HD23 LEU A 31 -22.096 22.149 -17.944 1.00 13.12 H new ATOM 527 N VAL A 32 -17.985 19.995 -14.337 1.00 12.11 N ATOM 528 CA VAL A 32 -16.585 19.702 -14.617 1.00 62.20 C ATOM 529 C VAL A 32 -16.451 18.524 -15.576 1.00 11.21 C ATOM 530 O VAL A 32 -17.360 17.702 -15.699 1.00 3.45 O ATOM 531 CB VAL A 32 -15.808 19.388 -13.325 1.00 4.23 C ATOM 532 CG1 VAL A 32 -16.170 18.005 -12.806 1.00 0.01 C ATOM 533 CG2 VAL A 32 -14.310 19.501 -13.564 1.00 4.44 C ATOM 0 H VAL A 32 -18.484 19.247 -13.855 1.00 12.11 H new ATOM 0 HA VAL A 32 -16.162 20.594 -15.079 1.00 62.20 H new ATOM 0 HB VAL A 32 -16.089 20.119 -12.567 1.00 4.23 H new ATOM 0 HG11 VAL A 32 -15.611 17.801 -11.893 1.00 0.01 H new ATOM 0 HG12 VAL A 32 -17.238 17.964 -12.594 1.00 0.01 H new ATOM 0 HG13 VAL A 32 -15.920 17.257 -13.559 1.00 0.01 H new ATOM 0 HG21 VAL A 32 -13.776 19.276 -12.641 1.00 4.44 H new ATOM 0 HG22 VAL A 32 -14.011 18.794 -14.338 1.00 4.44 H new ATOM 0 HG23 VAL A 32 -14.068 20.514 -13.885 1.00 4.44 H new ATOM 543 N LYS A 33 -15.311 18.448 -16.255 1.00 34.53 N ATOM 544 CA LYS A 33 -15.056 17.369 -17.203 1.00 2.44 C ATOM 545 C LYS A 33 -14.128 16.321 -16.597 1.00 0.10 C ATOM 546 O LYS A 33 -13.861 16.335 -15.395 1.00 41.34 O ATOM 547 CB LYS A 33 -14.442 17.928 -18.488 1.00 64.12 C ATOM 548 CG LYS A 33 -13.357 18.963 -18.244 1.00 54.35 C ATOM 549 CD LYS A 33 -12.750 19.452 -19.549 1.00 1.24 C ATOM 550 CE LYS A 33 -13.763 20.222 -20.382 1.00 35.15 C ATOM 551 NZ LYS A 33 -13.443 21.675 -20.442 1.00 64.23 N ATOM 0 H LYS A 33 -14.549 19.120 -16.167 1.00 34.53 H new ATOM 0 HA LYS A 33 -16.008 16.893 -17.439 1.00 2.44 H new ATOM 0 HB2 LYS A 33 -14.024 17.106 -19.069 1.00 64.12 H new ATOM 0 HB3 LYS A 33 -15.231 18.376 -19.092 1.00 64.12 H new ATOM 0 HG2 LYS A 33 -13.775 19.808 -17.697 1.00 54.35 H new ATOM 0 HG3 LYS A 33 -12.576 18.532 -17.617 1.00 54.35 H new ATOM 0 HD2 LYS A 33 -11.893 20.090 -19.336 1.00 1.24 H new ATOM 0 HD3 LYS A 33 -12.380 18.601 -20.120 1.00 1.24 H new ATOM 0 HE2 LYS A 33 -13.788 19.814 -21.392 1.00 35.15 H new ATOM 0 HE3 LYS A 33 -14.759 20.087 -19.959 1.00 35.15 H new ATOM 0 HZ1 LYS A 33 -14.253 22.193 -20.840 1.00 64.23 H new ATOM 0 HZ2 LYS A 33 -13.244 22.027 -19.484 1.00 64.23 H new ATOM 0 HZ3 LYS A 33 -12.608 21.822 -21.045 1.00 64.23 H new ATOM 565 N TRP A 34 -13.639 15.415 -17.436 1.00 53.21 N ATOM 566 CA TRP A 34 -12.740 14.360 -16.983 1.00 4.43 C ATOM 567 C TRP A 34 -11.443 14.368 -17.785 1.00 53.33 C ATOM 568 O TRP A 34 -11.307 13.644 -18.772 1.00 33.25 O ATOM 569 CB TRP A 34 -13.420 12.996 -17.102 1.00 64.41 C ATOM 570 CG TRP A 34 -14.791 12.960 -16.499 1.00 11.45 C ATOM 571 CD1 TRP A 34 -15.208 13.610 -15.372 1.00 44.40 C ATOM 572 CD2 TRP A 34 -15.925 12.236 -16.989 1.00 3.14 C ATOM 573 NE1 TRP A 34 -16.532 13.334 -15.132 1.00 70.32 N ATOM 574 CE2 TRP A 34 -16.995 12.494 -16.110 1.00 32.30 C ATOM 575 CE3 TRP A 34 -16.140 11.397 -18.085 1.00 33.21 C ATOM 576 CZ2 TRP A 34 -18.259 11.940 -16.295 1.00 54.42 C ATOM 577 CZ3 TRP A 34 -17.395 10.848 -18.267 1.00 54.31 C ATOM 578 CH2 TRP A 34 -18.442 11.122 -17.377 1.00 12.32 C ATOM 0 H TRP A 34 -13.850 15.390 -18.434 1.00 53.21 H new ATOM 0 HA TRP A 34 -12.499 14.547 -15.937 1.00 4.43 H new ATOM 0 HB2 TRP A 34 -13.487 12.722 -18.155 1.00 64.41 H new ATOM 0 HB3 TRP A 34 -12.798 12.244 -16.616 1.00 64.41 H new ATOM 0 HD1 TRP A 34 -14.588 14.247 -14.760 1.00 44.40 H new ATOM 0 HE1 TRP A 34 -17.081 13.696 -14.352 1.00 70.32 H new ATOM 0 HE3 TRP A 34 -15.340 11.181 -18.778 1.00 33.21 H new ATOM 0 HZ2 TRP A 34 -19.067 12.148 -15.609 1.00 54.42 H new ATOM 0 HZ3 TRP A 34 -17.572 10.196 -19.110 1.00 54.31 H new ATOM 0 HH2 TRP A 34 -19.412 10.679 -17.548 1.00 12.32 H new ATOM 589 N LYS A 35 -10.492 15.192 -17.357 1.00 74.42 N ATOM 590 CA LYS A 35 -9.205 15.293 -18.035 1.00 14.11 C ATOM 591 C LYS A 35 -9.395 15.557 -19.525 1.00 64.44 C ATOM 592 O LYS A 35 -8.631 15.063 -20.354 1.00 73.22 O ATOM 593 CB LYS A 35 -8.396 14.010 -17.832 1.00 13.12 C ATOM 594 CG LYS A 35 -6.945 14.259 -17.460 1.00 22.23 C ATOM 595 CD LYS A 35 -6.431 13.211 -16.487 1.00 61.52 C ATOM 596 CE LYS A 35 -6.184 11.880 -17.181 1.00 74.32 C ATOM 597 NZ LYS A 35 -4.734 11.638 -17.419 1.00 12.32 N ATOM 0 H LYS A 35 -10.589 15.800 -16.543 1.00 74.42 H new ATOM 0 HA LYS A 35 -8.659 16.131 -17.602 1.00 14.11 H new ATOM 0 HB2 LYS A 35 -8.866 13.414 -17.050 1.00 13.12 H new ATOM 0 HB3 LYS A 35 -8.432 13.419 -18.747 1.00 13.12 H new ATOM 0 HG2 LYS A 35 -6.331 14.253 -18.361 1.00 22.23 H new ATOM 0 HG3 LYS A 35 -6.847 15.249 -17.015 1.00 22.23 H new ATOM 0 HD2 LYS A 35 -5.506 13.561 -16.029 1.00 61.52 H new ATOM 0 HD3 LYS A 35 -7.153 13.075 -15.682 1.00 61.52 H new ATOM 0 HE2 LYS A 35 -6.592 11.072 -16.573 1.00 74.32 H new ATOM 0 HE3 LYS A 35 -6.716 11.862 -18.132 1.00 74.32 H new ATOM 0 HZ1 LYS A 35 -4.608 10.721 -17.894 1.00 12.32 H new ATOM 0 HZ2 LYS A 35 -4.350 12.395 -18.020 1.00 12.32 H new ATOM 0 HZ3 LYS A 35 -4.230 11.629 -16.510 1.00 12.32 H new ATOM 611 N ASN A 36 -10.416 16.339 -19.858 1.00 41.33 N ATOM 612 CA ASN A 36 -10.704 16.669 -21.249 1.00 53.14 C ATOM 613 C ASN A 36 -10.930 15.405 -22.073 1.00 25.42 C ATOM 614 O ASN A 36 -10.839 15.426 -23.301 1.00 1.44 O ATOM 615 CB ASN A 36 -9.558 17.485 -21.850 1.00 62.11 C ATOM 616 CG ASN A 36 -9.944 18.931 -22.096 1.00 23.23 C ATOM 617 OD1 ASN A 36 -10.100 19.692 -21.019 1.00 33.51 O flip ATOM 618 ND2 ASN A 36 -10.099 19.358 -23.240 1.00 42.41 N flip ATOM 0 H ASN A 36 -11.058 16.756 -19.184 1.00 41.33 H new ATOM 0 HA ASN A 36 -11.616 17.265 -21.273 1.00 53.14 H new ATOM 0 HB2 ASN A 36 -8.700 17.450 -21.179 1.00 62.11 H new ATOM 0 HB3 ASN A 36 -9.246 17.030 -22.790 1.00 62.11 H new ATOM 0 HD21 ASN A 36 -9.968 18.737 -24.038 1.00 42.41 H new ATOM 0 HD22 ASN A 36 -10.358 20.333 -23.390 1.00 42.41 H new ATOM 625 N TYR A 37 -11.224 14.305 -21.389 1.00 22.41 N ATOM 626 CA TYR A 37 -11.460 13.030 -22.056 1.00 54.02 C ATOM 627 C TYR A 37 -12.838 13.006 -22.711 1.00 61.54 C ATOM 628 O TYR A 37 -13.064 12.281 -23.681 1.00 0.23 O ATOM 629 CB TYR A 37 -11.337 11.877 -21.058 1.00 54.43 C ATOM 630 CG TYR A 37 -11.651 10.524 -21.655 1.00 23.21 C ATOM 631 CD1 TYR A 37 -12.960 10.068 -21.743 1.00 55.21 C ATOM 632 CD2 TYR A 37 -10.637 9.700 -22.129 1.00 54.34 C ATOM 633 CE1 TYR A 37 -13.252 8.832 -22.287 1.00 24.03 C ATOM 634 CE2 TYR A 37 -10.919 8.463 -22.676 1.00 13.31 C ATOM 635 CZ TYR A 37 -12.228 8.034 -22.752 1.00 62.52 C ATOM 636 OH TYR A 37 -12.513 6.801 -23.295 1.00 4.44 O ATOM 0 H TYR A 37 -11.305 14.271 -20.373 1.00 22.41 H new ATOM 0 HA TYR A 37 -10.705 12.910 -22.833 1.00 54.02 H new ATOM 0 HB2 TYR A 37 -10.324 11.861 -20.657 1.00 54.43 H new ATOM 0 HB3 TYR A 37 -12.009 12.060 -20.220 1.00 54.43 H new ATOM 0 HD1 TYR A 37 -13.764 10.691 -21.380 1.00 55.21 H new ATOM 0 HD2 TYR A 37 -9.611 10.032 -22.069 1.00 54.34 H new ATOM 0 HE1 TYR A 37 -14.276 8.493 -22.348 1.00 24.03 H new ATOM 0 HE2 TYR A 37 -10.120 7.836 -23.042 1.00 13.31 H new ATOM 0 HH TYR A 37 -11.680 6.367 -23.575 1.00 4.44 H new ATOM 646 N SER A 38 -13.756 13.803 -22.175 1.00 5.54 N ATOM 647 CA SER A 38 -15.113 13.872 -22.704 1.00 4.32 C ATOM 648 C SER A 38 -15.829 15.122 -22.202 1.00 4.51 C ATOM 649 O SER A 38 -16.752 15.039 -21.393 1.00 14.44 O ATOM 650 CB SER A 38 -15.902 12.624 -22.305 1.00 60.11 C ATOM 651 OG SER A 38 -15.396 11.471 -22.956 1.00 55.33 O ATOM 0 H SER A 38 -13.585 14.411 -21.374 1.00 5.54 H new ATOM 0 HA SER A 38 -15.051 13.922 -23.791 1.00 4.32 H new ATOM 0 HB2 SER A 38 -15.851 12.487 -21.225 1.00 60.11 H new ATOM 0 HB3 SER A 38 -16.953 12.758 -22.560 1.00 60.11 H new ATOM 0 HG SER A 38 -14.693 11.733 -23.586 1.00 55.33 H new ATOM 657 N SER A 39 -15.395 16.281 -22.689 1.00 21.23 N ATOM 658 CA SER A 39 -15.991 17.550 -22.288 1.00 21.35 C ATOM 659 C SER A 39 -17.505 17.520 -22.469 1.00 35.24 C ATOM 660 O SER A 39 -18.236 18.261 -21.811 1.00 33.12 O ATOM 661 CB SER A 39 -15.391 18.699 -23.101 1.00 33.35 C ATOM 662 OG SER A 39 -14.028 18.455 -23.400 1.00 22.45 O ATOM 0 H SER A 39 -14.633 16.367 -23.362 1.00 21.23 H new ATOM 0 HA SER A 39 -15.772 17.709 -21.232 1.00 21.35 H new ATOM 0 HB2 SER A 39 -15.953 18.826 -24.027 1.00 33.35 H new ATOM 0 HB3 SER A 39 -15.483 19.631 -22.542 1.00 33.35 H new ATOM 0 HG SER A 39 -13.669 19.203 -23.921 1.00 22.45 H new ATOM 668 N LYS A 40 -17.971 16.657 -23.366 1.00 2.32 N ATOM 669 CA LYS A 40 -19.398 16.528 -23.635 1.00 21.42 C ATOM 670 C LYS A 40 -20.064 15.617 -22.609 1.00 34.41 C ATOM 671 O LYS A 40 -21.225 15.815 -22.250 1.00 74.34 O ATOM 672 CB LYS A 40 -19.624 15.977 -25.045 1.00 31.03 C ATOM 673 CG LYS A 40 -19.114 16.892 -26.144 1.00 50.32 C ATOM 674 CD LYS A 40 -17.605 16.798 -26.293 1.00 62.42 C ATOM 675 CE LYS A 40 -17.193 16.719 -27.755 1.00 60.33 C ATOM 676 NZ LYS A 40 -16.033 17.603 -28.053 1.00 45.11 N ATOM 0 H LYS A 40 -17.380 16.036 -23.919 1.00 2.32 H new ATOM 0 HA LYS A 40 -19.848 17.518 -23.562 1.00 21.42 H new ATOM 0 HB2 LYS A 40 -19.130 15.009 -25.131 1.00 31.03 H new ATOM 0 HB3 LYS A 40 -20.690 15.805 -25.192 1.00 31.03 H new ATOM 0 HG2 LYS A 40 -19.591 16.629 -27.088 1.00 50.32 H new ATOM 0 HG3 LYS A 40 -19.395 17.921 -25.921 1.00 50.32 H new ATOM 0 HD2 LYS A 40 -17.138 17.666 -25.829 1.00 62.42 H new ATOM 0 HD3 LYS A 40 -17.240 15.918 -25.763 1.00 62.42 H new ATOM 0 HE2 LYS A 40 -16.938 15.689 -28.005 1.00 60.33 H new ATOM 0 HE3 LYS A 40 -18.036 17.001 -28.386 1.00 60.33 H new ATOM 0 HZ1 LYS A 40 -15.783 17.520 -29.059 1.00 45.11 H new ATOM 0 HZ2 LYS A 40 -16.284 18.589 -27.838 1.00 45.11 H new ATOM 0 HZ3 LYS A 40 -15.220 17.318 -27.470 1.00 45.11 H new ATOM 690 N ASP A 41 -19.322 14.620 -22.139 1.00 74.35 N ATOM 691 CA ASP A 41 -19.841 13.680 -21.152 1.00 61.24 C ATOM 692 C ASP A 41 -19.639 14.212 -19.737 1.00 35.10 C ATOM 693 O ASP A 41 -19.903 13.515 -18.758 1.00 55.21 O ATOM 694 CB ASP A 41 -19.156 12.321 -21.302 1.00 24.41 C ATOM 695 CG ASP A 41 -19.218 11.794 -22.722 1.00 61.11 C ATOM 696 OD1 ASP A 41 -20.118 12.222 -23.475 1.00 62.11 O ATOM 697 OD2 ASP A 41 -18.366 10.954 -23.081 1.00 11.40 O ATOM 0 H ASP A 41 -18.359 14.442 -22.426 1.00 74.35 H new ATOM 0 HA ASP A 41 -20.910 13.560 -21.327 1.00 61.24 H new ATOM 0 HB2 ASP A 41 -18.114 12.407 -20.995 1.00 24.41 H new ATOM 0 HB3 ASP A 41 -19.628 11.604 -20.631 1.00 24.41 H new ATOM 702 N ASN A 42 -19.169 15.451 -19.637 1.00 70.05 N ATOM 703 CA ASN A 42 -18.930 16.076 -18.342 1.00 14.24 C ATOM 704 C ASN A 42 -20.122 15.871 -17.411 1.00 22.10 C ATOM 705 O ASN A 42 -21.223 15.545 -17.856 1.00 11.13 O ATOM 706 CB ASN A 42 -18.657 17.571 -18.516 1.00 41.41 C ATOM 707 CG ASN A 42 -19.702 18.254 -19.378 1.00 23.40 C ATOM 708 OD1 ASN A 42 -20.733 17.666 -19.704 1.00 71.04 O ATOM 709 ND2 ASN A 42 -19.438 19.500 -19.751 1.00 53.51 N ATOM 0 H ASN A 42 -18.946 16.042 -20.438 1.00 70.05 H new ATOM 0 HA ASN A 42 -18.056 15.603 -17.895 1.00 14.24 H new ATOM 0 HB2 ASN A 42 -18.629 18.049 -17.537 1.00 41.41 H new ATOM 0 HB3 ASN A 42 -17.673 17.708 -18.965 1.00 41.41 H new ATOM 0 HD21 ASN A 42 -20.103 20.010 -20.332 1.00 53.51 H new ATOM 0 HD22 ASN A 42 -18.570 19.947 -19.457 1.00 53.51 H new ATOM 716 N THR A 43 -19.894 16.064 -16.115 1.00 52.35 N ATOM 717 CA THR A 43 -20.947 15.900 -15.122 1.00 13.24 C ATOM 718 C THR A 43 -20.999 17.092 -14.173 1.00 2.30 C ATOM 719 O THR A 43 -20.048 17.870 -14.087 1.00 15.03 O ATOM 720 CB THR A 43 -20.748 14.613 -14.300 1.00 34.25 C ATOM 721 OG1 THR A 43 -21.714 14.552 -13.244 1.00 24.35 O ATOM 722 CG2 THR A 43 -19.345 14.556 -13.715 1.00 32.52 C ATOM 0 H THR A 43 -18.989 16.334 -15.730 1.00 52.35 H new ATOM 0 HA THR A 43 -21.888 15.832 -15.668 1.00 13.24 H new ATOM 0 HB THR A 43 -20.882 13.759 -14.964 1.00 34.25 H new ATOM 0 HG1 THR A 43 -21.582 13.730 -12.727 1.00 24.35 H new ATOM 0 HG21 THR A 43 -19.228 13.638 -13.139 1.00 32.52 H new ATOM 0 HG22 THR A 43 -18.613 14.573 -14.523 1.00 32.52 H new ATOM 0 HG23 THR A 43 -19.187 15.416 -13.064 1.00 32.52 H new ATOM 730 N TRP A 44 -22.113 17.230 -13.463 1.00 63.42 N ATOM 731 CA TRP A 44 -22.287 18.328 -12.519 1.00 41.05 C ATOM 732 C TRP A 44 -21.993 17.873 -11.094 1.00 72.03 C ATOM 733 O TRP A 44 -22.285 16.736 -10.724 1.00 41.34 O ATOM 734 CB TRP A 44 -23.710 18.883 -12.608 1.00 24.20 C ATOM 735 CG TRP A 44 -24.116 19.256 -14.001 1.00 40.15 C ATOM 736 CD1 TRP A 44 -23.807 20.410 -14.664 1.00 34.11 C ATOM 737 CD2 TRP A 44 -24.907 18.473 -14.902 1.00 52.41 C ATOM 738 NE1 TRP A 44 -24.359 20.392 -15.922 1.00 73.41 N ATOM 739 CE2 TRP A 44 -25.038 19.214 -16.093 1.00 52.21 C ATOM 740 CE3 TRP A 44 -25.516 17.218 -14.819 1.00 50.33 C ATOM 741 CZ2 TRP A 44 -25.754 18.740 -17.189 1.00 43.13 C ATOM 742 CZ3 TRP A 44 -26.226 16.749 -15.908 1.00 51.41 C ATOM 743 CH2 TRP A 44 -26.340 17.508 -17.081 1.00 4.24 C ATOM 0 H TRP A 44 -22.909 16.595 -13.523 1.00 63.42 H new ATOM 0 HA TRP A 44 -21.580 19.115 -12.781 1.00 41.05 H new ATOM 0 HB2 TRP A 44 -24.407 18.140 -12.221 1.00 24.20 H new ATOM 0 HB3 TRP A 44 -23.791 19.760 -11.966 1.00 24.20 H new ATOM 0 HD1 TRP A 44 -23.216 21.218 -14.259 1.00 34.11 H new ATOM 0 HE1 TRP A 44 -24.277 21.135 -16.616 1.00 73.41 H new ATOM 0 HE3 TRP A 44 -25.433 16.625 -13.920 1.00 50.33 H new ATOM 0 HZ2 TRP A 44 -25.844 19.324 -18.093 1.00 43.13 H new ATOM 0 HZ3 TRP A 44 -26.701 15.781 -15.854 1.00 51.41 H new ATOM 0 HH2 TRP A 44 -26.901 17.113 -17.915 1.00 4.24 H new ATOM 754 N GLU A 45 -21.415 18.768 -10.299 1.00 62.41 N ATOM 755 CA GLU A 45 -21.082 18.456 -8.914 1.00 62.52 C ATOM 756 C GLU A 45 -21.361 19.649 -8.005 1.00 74.12 C ATOM 757 O GLU A 45 -20.822 20.738 -8.206 1.00 71.31 O ATOM 758 CB GLU A 45 -19.612 18.047 -8.800 1.00 22.54 C ATOM 759 CG GLU A 45 -19.356 16.590 -9.147 1.00 75.44 C ATOM 760 CD GLU A 45 -19.347 15.691 -7.926 1.00 14.21 C ATOM 761 OE1 GLU A 45 -18.388 15.779 -7.131 1.00 54.11 O ATOM 762 OE2 GLU A 45 -20.300 14.900 -7.765 1.00 73.01 O ATOM 0 H GLU A 45 -21.168 19.714 -10.590 1.00 62.41 H new ATOM 0 HA GLU A 45 -21.710 17.624 -8.595 1.00 62.52 H new ATOM 0 HB2 GLU A 45 -19.016 18.679 -9.459 1.00 22.54 H new ATOM 0 HB3 GLU A 45 -19.269 18.235 -7.782 1.00 22.54 H new ATOM 0 HG2 GLU A 45 -20.123 16.246 -9.841 1.00 75.44 H new ATOM 0 HG3 GLU A 45 -18.399 16.506 -9.662 1.00 75.44 H new ATOM 769 N THR A 46 -22.209 19.437 -7.004 1.00 34.45 N ATOM 770 CA THR A 46 -22.563 20.493 -6.064 1.00 40.43 C ATOM 771 C THR A 46 -21.342 21.325 -5.687 1.00 53.15 C ATOM 772 O THR A 46 -20.224 20.815 -5.640 1.00 24.21 O ATOM 773 CB THR A 46 -23.194 19.918 -4.782 1.00 64.23 C ATOM 774 OG1 THR A 46 -22.707 18.591 -4.550 1.00 2.43 O ATOM 775 CG2 THR A 46 -24.711 19.895 -4.889 1.00 1.34 C ATOM 0 H THR A 46 -22.664 18.542 -6.823 1.00 34.45 H new ATOM 0 HA THR A 46 -23.293 21.129 -6.565 1.00 40.43 H new ATOM 0 HB THR A 46 -22.914 20.559 -3.946 1.00 64.23 H new ATOM 0 HG1 THR A 46 -23.111 18.232 -3.732 1.00 2.43 H new ATOM 0 HG21 THR A 46 -25.134 19.485 -3.972 1.00 1.34 H new ATOM 0 HG22 THR A 46 -25.081 20.910 -5.037 1.00 1.34 H new ATOM 0 HG23 THR A 46 -25.007 19.274 -5.734 1.00 1.34 H new ATOM 783 N GLU A 47 -21.566 22.608 -5.420 1.00 25.01 N ATOM 784 CA GLU A 47 -20.482 23.510 -5.047 1.00 61.32 C ATOM 785 C GLU A 47 -19.778 23.022 -3.784 1.00 73.21 C ATOM 786 O GLU A 47 -18.633 23.386 -3.519 1.00 4.12 O ATOM 787 CB GLU A 47 -21.019 24.926 -4.830 1.00 61.03 C ATOM 788 CG GLU A 47 -20.075 25.821 -4.045 1.00 51.21 C ATOM 789 CD GLU A 47 -20.598 27.238 -3.903 1.00 23.51 C ATOM 790 OE1 GLU A 47 -21.824 27.433 -4.028 1.00 55.34 O ATOM 791 OE2 GLU A 47 -19.779 28.150 -3.666 1.00 2.33 O ATOM 0 H GLU A 47 -22.487 23.046 -5.455 1.00 25.01 H new ATOM 0 HA GLU A 47 -19.759 23.524 -5.863 1.00 61.32 H new ATOM 0 HB2 GLU A 47 -21.217 25.383 -5.800 1.00 61.03 H new ATOM 0 HB3 GLU A 47 -21.972 24.868 -4.304 1.00 61.03 H new ATOM 0 HG2 GLU A 47 -19.916 25.395 -3.054 1.00 51.21 H new ATOM 0 HG3 GLU A 47 -19.105 25.844 -4.541 1.00 51.21 H new ATOM 798 N ASP A 48 -20.473 22.196 -3.009 1.00 4.33 N ATOM 799 CA ASP A 48 -19.915 21.657 -1.774 1.00 14.45 C ATOM 800 C ASP A 48 -19.318 20.273 -2.005 1.00 43.25 C ATOM 801 O ASP A 48 -18.735 19.678 -1.099 1.00 20.10 O ATOM 802 CB ASP A 48 -20.994 21.586 -0.691 1.00 43.11 C ATOM 803 CG ASP A 48 -20.415 21.658 0.708 1.00 21.03 C ATOM 804 OD1 ASP A 48 -19.750 20.687 1.126 1.00 32.45 O ATOM 805 OD2 ASP A 48 -20.626 22.686 1.385 1.00 63.11 O ATOM 0 H ASP A 48 -21.423 21.885 -3.214 1.00 4.33 H new ATOM 0 HA ASP A 48 -19.120 22.325 -1.442 1.00 14.45 H new ATOM 0 HB2 ASP A 48 -21.700 22.404 -0.831 1.00 43.11 H new ATOM 0 HB3 ASP A 48 -21.555 20.658 -0.802 1.00 43.11 H new ATOM 810 N ASP A 49 -19.467 19.767 -3.224 1.00 72.34 N ATOM 811 CA ASP A 49 -18.942 18.452 -3.576 1.00 12.31 C ATOM 812 C ASP A 49 -17.896 18.563 -4.680 1.00 63.33 C ATOM 813 O ASP A 49 -17.184 17.601 -4.973 1.00 11.23 O ATOM 814 CB ASP A 49 -20.077 17.529 -4.022 1.00 20.11 C ATOM 815 CG ASP A 49 -19.699 16.063 -3.935 1.00 43.35 C ATOM 816 OD1 ASP A 49 -18.769 15.734 -3.169 1.00 10.41 O ATOM 817 OD2 ASP A 49 -20.333 15.245 -4.634 1.00 1.23 O ATOM 0 H ASP A 49 -19.947 20.247 -3.985 1.00 72.34 H new ATOM 0 HA ASP A 49 -18.467 18.029 -2.691 1.00 12.31 H new ATOM 0 HB2 ASP A 49 -20.955 17.712 -3.403 1.00 20.11 H new ATOM 0 HB3 ASP A 49 -20.355 17.769 -5.048 1.00 20.11 H new ATOM 822 N ILE A 50 -17.809 19.740 -5.290 1.00 63.13 N ATOM 823 CA ILE A 50 -16.849 19.975 -6.362 1.00 54.22 C ATOM 824 C ILE A 50 -15.598 20.671 -5.837 1.00 52.12 C ATOM 825 O ILE A 50 -14.487 20.401 -6.294 1.00 54.33 O ATOM 826 CB ILE A 50 -17.462 20.827 -7.489 1.00 53.13 C ATOM 827 CG1 ILE A 50 -16.467 20.979 -8.642 1.00 14.53 C ATOM 828 CG2 ILE A 50 -17.877 22.191 -6.957 1.00 33.52 C ATOM 829 CD1 ILE A 50 -16.815 20.144 -9.854 1.00 42.42 C ATOM 0 H ILE A 50 -18.391 20.546 -5.061 1.00 63.13 H new ATOM 0 HA ILE A 50 -16.577 18.998 -6.762 1.00 54.22 H new ATOM 0 HB ILE A 50 -18.351 20.320 -7.865 1.00 53.13 H new ATOM 0 HG12 ILE A 50 -16.420 22.028 -8.935 1.00 14.53 H new ATOM 0 HG13 ILE A 50 -15.473 20.701 -8.292 1.00 14.53 H new ATOM 0 HG21 ILE A 50 -18.308 22.781 -7.766 1.00 33.52 H new ATOM 0 HG22 ILE A 50 -18.616 22.064 -6.166 1.00 33.52 H new ATOM 0 HG23 ILE A 50 -17.004 22.707 -6.557 1.00 33.52 H new ATOM 0 HD11 ILE A 50 -16.067 20.301 -10.631 1.00 42.42 H new ATOM 0 HD12 ILE A 50 -16.834 19.090 -9.577 1.00 42.42 H new ATOM 0 HD13 ILE A 50 -17.795 20.438 -10.229 1.00 42.42 H new ATOM 841 N ARG A 51 -15.786 21.567 -4.873 1.00 73.44 N ATOM 842 CA ARG A 51 -14.673 22.301 -4.285 1.00 42.21 C ATOM 843 C ARG A 51 -13.954 21.453 -3.240 1.00 10.44 C ATOM 844 O ARG A 51 -12.819 21.744 -2.861 1.00 42.52 O ATOM 845 CB ARG A 51 -15.170 23.601 -3.649 1.00 73.42 C ATOM 846 CG ARG A 51 -15.173 23.573 -2.130 1.00 30.15 C ATOM 847 CD ARG A 51 -16.260 22.656 -1.591 1.00 61.30 C ATOM 848 NE ARG A 51 -17.070 23.310 -0.567 1.00 75.23 N ATOM 849 CZ ARG A 51 -16.712 23.397 0.709 1.00 75.21 C ATOM 850 NH1 ARG A 51 -15.564 22.874 1.116 1.00 42.52 N ATOM 851 NH2 ARG A 51 -17.504 24.008 1.581 1.00 30.11 N ATOM 0 H ARG A 51 -16.699 21.802 -4.483 1.00 73.44 H new ATOM 0 HA ARG A 51 -13.968 22.541 -5.081 1.00 42.21 H new ATOM 0 HB2 ARG A 51 -14.542 24.425 -3.988 1.00 73.42 H new ATOM 0 HB3 ARG A 51 -16.181 23.805 -4.002 1.00 73.42 H new ATOM 0 HG2 ARG A 51 -14.201 23.237 -1.769 1.00 30.15 H new ATOM 0 HG3 ARG A 51 -15.324 24.582 -1.747 1.00 30.15 H new ATOM 0 HD2 ARG A 51 -16.902 22.335 -2.411 1.00 61.30 H new ATOM 0 HD3 ARG A 51 -15.803 21.759 -1.173 1.00 61.30 H new ATOM 0 HE ARG A 51 -17.960 23.723 -0.847 1.00 75.23 H new ATOM 0 HH11 ARG A 51 -14.953 22.403 0.449 1.00 42.52 H new ATOM 0 HH12 ARG A 51 -15.292 22.942 2.097 1.00 42.52 H new ATOM 0 HH21 ARG A 51 -18.388 24.411 1.271 1.00 30.11 H new ATOM 0 HH22 ARG A 51 -17.228 24.074 2.561 1.00 30.11 H new ATOM 865 N THR A 52 -14.623 20.403 -2.775 1.00 71.53 N ATOM 866 CA THR A 52 -14.050 19.514 -1.773 1.00 21.52 C ATOM 867 C THR A 52 -13.246 18.394 -2.425 1.00 54.43 C ATOM 868 O THR A 52 -12.251 17.927 -1.872 1.00 63.14 O ATOM 869 CB THR A 52 -15.142 18.893 -0.881 1.00 54.35 C ATOM 870 OG1 THR A 52 -14.543 18.091 0.142 1.00 2.42 O ATOM 871 CG2 THR A 52 -16.095 18.042 -1.707 1.00 33.22 C ATOM 0 H THR A 52 -15.563 20.147 -3.077 1.00 71.53 H new ATOM 0 HA THR A 52 -13.388 20.121 -1.155 1.00 21.52 H new ATOM 0 HB THR A 52 -15.708 19.703 -0.421 1.00 54.35 H new ATOM 0 HG1 THR A 52 -15.244 17.702 0.705 1.00 2.42 H new ATOM 0 HG21 THR A 52 -16.857 17.614 -1.056 1.00 33.22 H new ATOM 0 HG22 THR A 52 -16.572 18.662 -2.466 1.00 33.22 H new ATOM 0 HG23 THR A 52 -15.539 17.239 -2.192 1.00 33.22 H new ATOM 879 N LYS A 53 -13.684 17.968 -3.605 1.00 53.52 N ATOM 880 CA LYS A 53 -13.005 16.905 -4.336 1.00 30.15 C ATOM 881 C LYS A 53 -12.154 17.478 -5.465 1.00 32.34 C ATOM 882 O LYS A 53 -11.119 16.915 -5.821 1.00 43.22 O ATOM 883 CB LYS A 53 -14.025 15.916 -4.903 1.00 34.40 C ATOM 884 CG LYS A 53 -15.108 15.523 -3.913 1.00 10.24 C ATOM 885 CD LYS A 53 -14.515 14.965 -2.630 1.00 63.31 C ATOM 886 CE LYS A 53 -13.773 13.660 -2.881 1.00 14.43 C ATOM 887 NZ LYS A 53 -14.432 12.509 -2.204 1.00 0.15 N ATOM 0 H LYS A 53 -14.507 18.343 -4.076 1.00 53.52 H new ATOM 0 HA LYS A 53 -12.349 16.382 -3.640 1.00 30.15 H new ATOM 0 HB2 LYS A 53 -14.492 16.355 -5.785 1.00 34.40 H new ATOM 0 HB3 LYS A 53 -13.503 15.018 -5.233 1.00 34.40 H new ATOM 0 HG2 LYS A 53 -15.724 16.392 -3.682 1.00 10.24 H new ATOM 0 HG3 LYS A 53 -15.763 14.779 -4.366 1.00 10.24 H new ATOM 0 HD2 LYS A 53 -13.832 15.695 -2.196 1.00 63.31 H new ATOM 0 HD3 LYS A 53 -15.310 14.799 -1.903 1.00 63.31 H new ATOM 0 HE2 LYS A 53 -13.723 13.471 -3.953 1.00 14.43 H new ATOM 0 HE3 LYS A 53 -12.747 13.751 -2.526 1.00 14.43 H new ATOM 0 HZ1 LYS A 53 -13.897 11.639 -2.399 1.00 0.15 H new ATOM 0 HZ2 LYS A 53 -14.457 12.678 -1.178 1.00 0.15 H new ATOM 0 HZ3 LYS A 53 -15.403 12.406 -2.562 1.00 0.15 H new ATOM 901 N TYR A 54 -12.597 18.599 -6.022 1.00 3.20 N ATOM 902 CA TYR A 54 -11.876 19.247 -7.111 1.00 51.42 C ATOM 903 C TYR A 54 -11.596 20.711 -6.784 1.00 55.25 C ATOM 904 O TYR A 54 -11.530 21.556 -7.676 1.00 3.41 O ATOM 905 CB TYR A 54 -12.676 19.147 -8.411 1.00 14.31 C ATOM 906 CG TYR A 54 -13.392 17.826 -8.581 1.00 13.40 C ATOM 907 CD1 TYR A 54 -12.682 16.653 -8.805 1.00 55.13 C ATOM 908 CD2 TYR A 54 -14.778 17.752 -8.518 1.00 72.44 C ATOM 909 CE1 TYR A 54 -13.332 15.444 -8.962 1.00 52.00 C ATOM 910 CE2 TYR A 54 -15.436 16.547 -8.672 1.00 72.24 C ATOM 911 CZ TYR A 54 -14.709 15.396 -8.894 1.00 60.02 C ATOM 912 OH TYR A 54 -15.361 14.194 -9.050 1.00 2.14 O ATOM 0 H TYR A 54 -13.452 19.078 -5.738 1.00 3.20 H new ATOM 0 HA TYR A 54 -10.923 18.733 -7.238 1.00 51.42 H new ATOM 0 HB2 TYR A 54 -13.408 19.954 -8.440 1.00 14.31 H new ATOM 0 HB3 TYR A 54 -12.002 19.297 -9.255 1.00 14.31 H new ATOM 0 HD1 TYR A 54 -11.604 16.687 -8.857 1.00 55.13 H new ATOM 0 HD2 TYR A 54 -15.351 18.651 -8.346 1.00 72.44 H new ATOM 0 HE1 TYR A 54 -12.765 14.541 -9.137 1.00 52.00 H new ATOM 0 HE2 TYR A 54 -16.514 16.506 -8.619 1.00 72.24 H new ATOM 0 HH TYR A 54 -16.328 14.334 -8.973 1.00 2.14 H new ATOM 922 N GLY A 55 -11.433 21.003 -5.497 1.00 71.25 N ATOM 923 CA GLY A 55 -11.162 22.364 -5.074 1.00 0.10 C ATOM 924 C GLY A 55 -10.002 22.986 -5.827 1.00 34.51 C ATOM 925 O GLY A 55 -9.887 24.209 -5.902 1.00 63.14 O ATOM 0 H GLY A 55 -11.484 20.321 -4.740 1.00 71.25 H new ATOM 0 HA2 GLY A 55 -12.055 22.972 -5.222 1.00 0.10 H new ATOM 0 HA3 GLY A 55 -10.944 22.373 -4.006 1.00 0.10 H new ATOM 929 N ASP A 56 -9.141 22.142 -6.384 1.00 61.31 N ATOM 930 CA ASP A 56 -7.984 22.615 -7.135 1.00 4.14 C ATOM 931 C ASP A 56 -8.414 23.527 -8.280 1.00 32.45 C ATOM 932 O ASP A 56 -7.932 24.653 -8.405 1.00 52.14 O ATOM 933 CB ASP A 56 -7.185 21.431 -7.681 1.00 45.25 C ATOM 934 CG ASP A 56 -5.734 21.458 -7.240 1.00 54.23 C ATOM 935 OD1 ASP A 56 -4.988 22.345 -7.706 1.00 74.04 O ATOM 936 OD2 ASP A 56 -5.346 20.593 -6.428 1.00 44.12 O ATOM 0 H ASP A 56 -9.222 21.127 -6.330 1.00 61.31 H new ATOM 0 HA ASP A 56 -7.352 23.188 -6.457 1.00 4.14 H new ATOM 0 HB2 ASP A 56 -7.646 20.501 -7.348 1.00 45.25 H new ATOM 0 HB3 ASP A 56 -7.231 21.437 -8.770 1.00 45.25 H new ATOM 941 N LEU A 57 -9.323 23.032 -9.113 1.00 10.04 N ATOM 942 CA LEU A 57 -9.818 23.801 -10.249 1.00 14.42 C ATOM 943 C LEU A 57 -10.943 24.739 -9.822 1.00 52.35 C ATOM 944 O LEU A 57 -11.069 25.850 -10.338 1.00 44.13 O ATOM 945 CB LEU A 57 -10.313 22.861 -11.350 1.00 4.42 C ATOM 946 CG LEU A 57 -10.848 21.507 -10.885 1.00 72.44 C ATOM 947 CD1 LEU A 57 -11.958 21.027 -11.808 1.00 33.05 C ATOM 948 CD2 LEU A 57 -9.725 20.482 -10.822 1.00 42.13 C ATOM 0 H LEU A 57 -9.732 22.102 -9.023 1.00 10.04 H new ATOM 0 HA LEU A 57 -8.995 24.402 -10.636 1.00 14.42 H new ATOM 0 HB2 LEU A 57 -11.101 23.369 -11.907 1.00 4.42 H new ATOM 0 HB3 LEU A 57 -9.493 22.686 -12.046 1.00 4.42 H new ATOM 0 HG LEU A 57 -11.261 21.626 -9.883 1.00 72.44 H new ATOM 0 HD11 LEU A 57 -12.327 20.062 -11.462 1.00 33.05 H new ATOM 0 HD12 LEU A 57 -12.774 21.750 -11.803 1.00 33.05 H new ATOM 0 HD13 LEU A 57 -11.570 20.925 -12.821 1.00 33.05 H new ATOM 0 HD21 LEU A 57 -10.125 19.524 -10.489 1.00 42.13 H new ATOM 0 HD22 LEU A 57 -9.282 20.366 -11.811 1.00 42.13 H new ATOM 0 HD23 LEU A 57 -8.962 20.820 -10.121 1.00 42.13 H new ATOM 960 N VAL A 58 -11.758 24.285 -8.876 1.00 15.43 N ATOM 961 CA VAL A 58 -12.871 25.085 -8.377 1.00 50.01 C ATOM 962 C VAL A 58 -12.391 26.443 -7.878 1.00 53.41 C ATOM 963 O VAL A 58 -13.062 27.458 -8.068 1.00 12.13 O ATOM 964 CB VAL A 58 -13.613 24.364 -7.236 1.00 52.11 C ATOM 965 CG1 VAL A 58 -14.758 25.222 -6.718 1.00 23.43 C ATOM 966 CG2 VAL A 58 -14.121 23.009 -7.704 1.00 73.22 C ATOM 0 H VAL A 58 -11.669 23.368 -8.439 1.00 15.43 H new ATOM 0 HA VAL A 58 -13.557 25.230 -9.212 1.00 50.01 H new ATOM 0 HB VAL A 58 -12.913 24.201 -6.416 1.00 52.11 H new ATOM 0 HG11 VAL A 58 -15.271 24.697 -5.912 1.00 23.43 H new ATOM 0 HG12 VAL A 58 -14.364 26.166 -6.342 1.00 23.43 H new ATOM 0 HG13 VAL A 58 -15.461 25.419 -7.528 1.00 23.43 H new ATOM 0 HG21 VAL A 58 -14.643 22.513 -6.885 1.00 73.22 H new ATOM 0 HG22 VAL A 58 -14.806 23.146 -8.541 1.00 73.22 H new ATOM 0 HG23 VAL A 58 -13.279 22.395 -8.022 1.00 73.22 H new ATOM 976 N ASP A 59 -11.226 26.455 -7.240 1.00 52.20 N ATOM 977 CA ASP A 59 -10.655 27.690 -6.715 1.00 22.35 C ATOM 978 C ASP A 59 -9.977 28.489 -7.823 1.00 3.44 C ATOM 979 O ASP A 59 -9.375 29.533 -7.569 1.00 64.02 O ATOM 980 CB ASP A 59 -9.650 27.379 -5.604 1.00 43.42 C ATOM 981 CG ASP A 59 -10.323 27.113 -4.272 1.00 64.31 C ATOM 982 OD1 ASP A 59 -11.546 27.343 -4.168 1.00 62.23 O ATOM 983 OD2 ASP A 59 -9.626 26.673 -3.334 1.00 11.24 O ATOM 0 H ASP A 59 -10.659 25.624 -7.074 1.00 52.20 H new ATOM 0 HA ASP A 59 -11.466 28.291 -6.303 1.00 22.35 H new ATOM 0 HB2 ASP A 59 -9.057 26.510 -5.888 1.00 43.42 H new ATOM 0 HB3 ASP A 59 -8.959 28.216 -5.498 1.00 43.42 H new ATOM 988 N ASP A 60 -10.078 27.993 -9.050 1.00 62.54 N ATOM 989 CA ASP A 60 -9.474 28.661 -10.198 1.00 33.53 C ATOM 990 C ASP A 60 -10.541 29.085 -11.202 1.00 40.13 C ATOM 991 O ASP A 60 -10.287 29.908 -12.083 1.00 32.44 O ATOM 992 CB ASP A 60 -8.457 27.740 -10.874 1.00 1.13 C ATOM 993 CG ASP A 60 -7.235 28.490 -11.366 1.00 1.30 C ATOM 994 OD1 ASP A 60 -6.740 29.366 -10.627 1.00 4.40 O ATOM 995 OD2 ASP A 60 -6.774 28.202 -12.491 1.00 34.04 O ATOM 0 H ASP A 60 -10.573 27.130 -9.277 1.00 62.54 H new ATOM 0 HA ASP A 60 -8.962 29.554 -9.840 1.00 33.53 H new ATOM 0 HB2 ASP A 60 -8.147 26.967 -10.170 1.00 1.13 H new ATOM 0 HB3 ASP A 60 -8.932 27.234 -11.714 1.00 1.13 H new ATOM 1000 N PHE A 61 -11.735 28.518 -11.065 1.00 61.00 N ATOM 1001 CA PHE A 61 -12.840 28.836 -11.962 1.00 0.02 C ATOM 1002 C PHE A 61 -13.703 29.955 -11.386 1.00 20.00 C ATOM 1003 O PHE A 61 -13.989 30.942 -12.062 1.00 44.43 O ATOM 1004 CB PHE A 61 -13.696 27.593 -12.211 1.00 35.10 C ATOM 1005 CG PHE A 61 -14.896 27.855 -13.077 1.00 24.33 C ATOM 1006 CD1 PHE A 61 -16.098 28.255 -12.516 1.00 24.13 C ATOM 1007 CD2 PHE A 61 -14.821 27.700 -14.452 1.00 1.14 C ATOM 1008 CE1 PHE A 61 -17.203 28.497 -13.309 1.00 41.15 C ATOM 1009 CE2 PHE A 61 -15.923 27.941 -15.250 1.00 44.25 C ATOM 1010 CZ PHE A 61 -17.115 28.339 -14.679 1.00 34.03 C ATOM 0 H PHE A 61 -11.962 27.836 -10.341 1.00 61.00 H new ATOM 0 HA PHE A 61 -12.421 29.175 -12.909 1.00 0.02 H new ATOM 0 HB2 PHE A 61 -13.080 26.825 -12.680 1.00 35.10 H new ATOM 0 HB3 PHE A 61 -14.029 27.193 -11.253 1.00 35.10 H new ATOM 0 HD1 PHE A 61 -16.172 28.379 -11.446 1.00 24.13 H new ATOM 0 HD2 PHE A 61 -13.892 27.388 -14.905 1.00 1.14 H new ATOM 0 HE1 PHE A 61 -18.134 28.809 -12.859 1.00 41.15 H new ATOM 0 HE2 PHE A 61 -15.852 27.818 -16.321 1.00 44.25 H new ATOM 0 HZ PHE A 61 -17.977 28.527 -15.302 1.00 34.03 H new ATOM 1020 N GLU A 62 -14.115 29.791 -10.133 1.00 1.23 N ATOM 1021 CA GLU A 62 -14.946 30.787 -9.466 1.00 74.34 C ATOM 1022 C GLU A 62 -14.113 31.988 -9.029 1.00 64.35 C ATOM 1023 O GLU A 62 -14.551 33.134 -9.133 1.00 71.50 O ATOM 1024 CB GLU A 62 -15.647 30.170 -8.254 1.00 25.33 C ATOM 1025 CG GLU A 62 -14.719 29.922 -7.076 1.00 63.33 C ATOM 1026 CD GLU A 62 -15.291 28.931 -6.081 1.00 52.20 C ATOM 1027 OE1 GLU A 62 -16.532 28.866 -5.955 1.00 23.23 O ATOM 1028 OE2 GLU A 62 -14.498 28.221 -5.429 1.00 24.04 O ATOM 0 H GLU A 62 -13.887 28.979 -9.560 1.00 1.23 H new ATOM 0 HA GLU A 62 -15.698 31.129 -10.177 1.00 74.34 H new ATOM 0 HB2 GLU A 62 -16.455 30.830 -7.937 1.00 25.33 H new ATOM 0 HB3 GLU A 62 -16.104 29.226 -8.551 1.00 25.33 H new ATOM 0 HG2 GLU A 62 -13.762 29.551 -7.444 1.00 63.33 H new ATOM 0 HG3 GLU A 62 -14.521 30.867 -6.569 1.00 63.33 H new ATOM 1035 N LYS A 63 -12.907 31.717 -8.540 1.00 14.02 N ATOM 1036 CA LYS A 63 -12.010 32.773 -8.087 1.00 51.30 C ATOM 1037 C LYS A 63 -11.548 33.634 -9.258 1.00 51.05 C ATOM 1038 O LYS A 63 -10.968 34.702 -9.065 1.00 71.45 O ATOM 1039 CB LYS A 63 -10.798 32.170 -7.374 1.00 44.03 C ATOM 1040 CG LYS A 63 -11.162 31.308 -6.178 1.00 0.22 C ATOM 1041 CD LYS A 63 -11.911 32.106 -5.124 1.00 32.24 C ATOM 1042 CE LYS A 63 -11.671 31.549 -3.729 1.00 12.34 C ATOM 1043 NZ LYS A 63 -12.842 30.776 -3.231 1.00 34.12 N ATOM 0 H LYS A 63 -12.529 30.774 -8.447 1.00 14.02 H new ATOM 0 HA LYS A 63 -12.557 33.405 -7.388 1.00 51.30 H new ATOM 0 HB2 LYS A 63 -10.231 31.569 -8.085 1.00 44.03 H new ATOM 0 HB3 LYS A 63 -10.143 32.976 -7.044 1.00 44.03 H new ATOM 0 HG2 LYS A 63 -11.777 30.470 -6.506 1.00 0.22 H new ATOM 0 HG3 LYS A 63 -10.256 30.888 -5.742 1.00 0.22 H new ATOM 0 HD2 LYS A 63 -11.593 33.148 -5.161 1.00 32.24 H new ATOM 0 HD3 LYS A 63 -12.978 32.091 -5.345 1.00 32.24 H new ATOM 0 HE2 LYS A 63 -10.790 30.907 -3.741 1.00 12.34 H new ATOM 0 HE3 LYS A 63 -11.458 32.368 -3.042 1.00 12.34 H new ATOM 0 HZ1 LYS A 63 -12.639 30.413 -2.278 1.00 34.12 H new ATOM 0 HZ2 LYS A 63 -13.677 31.395 -3.195 1.00 34.12 H new ATOM 0 HZ3 LYS A 63 -13.030 29.979 -3.872 1.00 34.12 H new ATOM 1057 N ASN A 64 -11.811 33.163 -10.473 1.00 62.41 N ATOM 1058 CA ASN A 64 -11.422 33.890 -11.676 1.00 14.31 C ATOM 1059 C ASN A 64 -12.622 34.607 -12.289 1.00 5.42 C ATOM 1060 O ASN A 64 -12.478 35.668 -12.896 1.00 71.02 O ATOM 1061 CB ASN A 64 -10.808 32.934 -12.700 1.00 30.32 C ATOM 1062 CG ASN A 64 -9.388 32.539 -12.343 1.00 42.31 C ATOM 1063 OD1 ASN A 64 -9.173 32.176 -11.084 1.00 14.22 O flip ATOM 1064 ND2 ASN A 64 -8.494 32.561 -13.190 1.00 34.20 N flip ATOM 0 H ASN A 64 -12.292 32.281 -10.650 1.00 62.41 H new ATOM 0 HA ASN A 64 -10.679 34.636 -11.395 1.00 14.31 H new ATOM 0 HB2 ASN A 64 -11.424 32.038 -12.772 1.00 30.32 H new ATOM 0 HB3 ASN A 64 -10.815 33.405 -13.683 1.00 30.32 H new ATOM 0 HD21 ASN A 64 -8.704 32.847 -14.146 1.00 34.20 H new ATOM 0 HD22 ASN A 64 -7.543 32.293 -12.935 1.00 34.20 H new ATOM 1071 N GLN A 65 -13.803 34.021 -12.124 1.00 24.40 N ATOM 1072 CA GLN A 65 -15.026 34.604 -12.661 1.00 73.32 C ATOM 1073 C GLN A 65 -15.613 35.625 -11.693 1.00 15.14 C ATOM 1074 O GLN A 65 -16.233 36.605 -12.107 1.00 35.21 O ATOM 1075 CB GLN A 65 -16.054 33.508 -12.951 1.00 0.33 C ATOM 1076 CG GLN A 65 -16.731 32.964 -11.703 1.00 65.31 C ATOM 1077 CD GLN A 65 -18.037 33.668 -11.393 1.00 4.02 C ATOM 1078 OE1 GLN A 65 -18.057 34.688 -10.704 1.00 5.43 O ATOM 1079 NE2 GLN A 65 -19.137 33.126 -11.901 1.00 51.01 N ATOM 0 H GLN A 65 -13.939 33.143 -11.623 1.00 24.40 H new ATOM 0 HA GLN A 65 -14.777 35.114 -13.591 1.00 73.32 H new ATOM 0 HB2 GLN A 65 -16.815 33.904 -13.624 1.00 0.33 H new ATOM 0 HB3 GLN A 65 -15.561 32.688 -13.474 1.00 0.33 H new ATOM 0 HG2 GLN A 65 -16.919 31.898 -11.832 1.00 65.31 H new ATOM 0 HG3 GLN A 65 -16.056 33.068 -10.854 1.00 65.31 H new ATOM 0 HE21 GLN A 65 -19.074 32.280 -12.467 1.00 51.01 H new ATOM 0 HE22 GLN A 65 -20.045 33.556 -11.726 1.00 51.01 H new ATOM 1088 N LYS A 66 -15.415 35.390 -10.400 1.00 63.31 N ATOM 1089 CA LYS A 66 -15.923 36.289 -9.371 1.00 71.11 C ATOM 1090 C LYS A 66 -15.341 37.689 -9.536 1.00 55.34 C ATOM 1091 O LYS A 66 -15.876 38.662 -9.003 1.00 22.20 O ATOM 1092 CB LYS A 66 -15.588 35.747 -7.980 1.00 24.21 C ATOM 1093 CG LYS A 66 -16.527 34.648 -7.512 1.00 43.24 C ATOM 1094 CD LYS A 66 -17.969 35.125 -7.479 1.00 31.34 C ATOM 1095 CE LYS A 66 -18.863 34.142 -6.738 1.00 14.10 C ATOM 1096 NZ LYS A 66 -19.501 34.763 -5.544 1.00 5.40 N ATOM 0 H LYS A 66 -14.905 34.583 -10.040 1.00 63.31 H new ATOM 0 HA LYS A 66 -17.006 36.349 -9.480 1.00 71.11 H new ATOM 0 HB2 LYS A 66 -14.568 35.364 -7.985 1.00 24.21 H new ATOM 0 HB3 LYS A 66 -15.617 36.568 -7.263 1.00 24.21 H new ATOM 0 HG2 LYS A 66 -16.442 33.788 -8.176 1.00 43.24 H new ATOM 0 HG3 LYS A 66 -16.230 34.313 -6.518 1.00 43.24 H new ATOM 0 HD2 LYS A 66 -18.020 36.101 -6.996 1.00 31.34 H new ATOM 0 HD3 LYS A 66 -18.334 35.254 -8.498 1.00 31.34 H new ATOM 0 HE2 LYS A 66 -19.636 33.774 -7.413 1.00 14.10 H new ATOM 0 HE3 LYS A 66 -18.274 33.279 -6.427 1.00 14.10 H new ATOM 0 HZ1 LYS A 66 -20.102 34.061 -5.067 1.00 5.40 H new ATOM 0 HZ2 LYS A 66 -18.764 35.091 -4.888 1.00 5.40 H new ATOM 0 HZ3 LYS A 66 -20.083 35.571 -5.843 1.00 5.40 H new ATOM 1110 N LYS A 67 -14.244 37.785 -10.280 1.00 15.31 N ATOM 1111 CA LYS A 67 -13.591 39.067 -10.519 1.00 31.24 C ATOM 1112 C LYS A 67 -12.750 39.020 -11.790 1.00 41.21 C ATOM 1113 O LYS A 67 -12.518 40.046 -12.431 1.00 31.14 O ATOM 1114 CB LYS A 67 -12.710 39.444 -9.325 1.00 72.52 C ATOM 1115 CG LYS A 67 -11.595 38.449 -9.055 1.00 22.25 C ATOM 1116 CD LYS A 67 -11.304 38.328 -7.568 1.00 33.50 C ATOM 1117 CE LYS A 67 -10.685 39.602 -7.015 1.00 51.13 C ATOM 1118 NZ LYS A 67 -9.382 39.912 -7.665 1.00 5.41 N ATOM 0 H LYS A 67 -13.788 36.990 -10.728 1.00 15.31 H new ATOM 0 HA LYS A 67 -14.365 39.824 -10.645 1.00 31.24 H new ATOM 0 HB2 LYS A 67 -12.274 40.427 -9.502 1.00 72.52 H new ATOM 0 HB3 LYS A 67 -13.334 39.528 -8.435 1.00 72.52 H new ATOM 0 HG2 LYS A 67 -11.873 37.473 -9.453 1.00 22.25 H new ATOM 0 HG3 LYS A 67 -10.692 38.762 -9.579 1.00 22.25 H new ATOM 0 HD2 LYS A 67 -12.228 38.109 -7.032 1.00 33.50 H new ATOM 0 HD3 LYS A 67 -10.629 37.490 -7.395 1.00 33.50 H new ATOM 0 HE2 LYS A 67 -11.373 40.434 -7.164 1.00 51.13 H new ATOM 0 HE3 LYS A 67 -10.539 39.498 -5.940 1.00 51.13 H new ATOM 0 HZ1 LYS A 67 -8.859 40.599 -7.085 1.00 5.41 H new ATOM 0 HZ2 LYS A 67 -8.823 39.040 -7.756 1.00 5.41 H new ATOM 0 HZ3 LYS A 67 -9.552 40.314 -8.609 1.00 5.41 H new TER 1132 LYS A 67