USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 730 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 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 96 THR OG1 : rot -150:sc= 1.02 USER MOD Set 2.1: A 18 ASN : amide:sc= 0.649 K(o=1.3,f=-1.6) USER MOD Set 2.2: A 19 GLN : amide:sc= 0.735 K(o=1.3,f=-0.32) USER MOD Set 2.3: A 22 HIS : no HD1:sc= -0.116 X(o=1.3,f=1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.057 (180deg=-0.118) USER MOD Single : A 6 SER OG : rot -82:sc= 1.12 USER MOD Single : A 9 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.35) USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 39:sc= 0.112 USER MOD Single : A 17 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.0248 K(o=-0.025,f=-1.1) USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= 1.3 (180deg=1.16) USER MOD Single : A 29 SER OG : rot -73:sc= -0.288! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -110:sc= -1.97! (180deg=-5.3!) USER MOD Single : A 43 THR OG1 : rot -58:sc= -0.574 USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 1.29 (180deg=1.07) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 141:sc= -3.25! (180deg=-6.75!) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.162 USER MOD Single : A 53 CYS SG : rot 47:sc= -3.74! USER MOD Single : A 54 ASN : amide:sc=-0.00527 X(o=-0.0053,f=-0.0053) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0365 F(o=-2.3!,f=-0.036) USER MOD Single : A 59 SER OG : rot 75:sc= 0.677 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.7!) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.706 F(o=-1.8!,f=-0.71) USER MOD Single : A 77 THR OG1 : rot 9:sc= 0.816 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= -0.0525 X(o=-0.052,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 56.779 7.968 8.552 1.00 22.50 N ATOM 2 CA MET A 1 55.544 7.954 9.369 1.00 4.31 C ATOM 3 C MET A 1 54.395 7.369 8.563 1.00 31.13 C ATOM 4 O MET A 1 54.473 7.290 7.336 1.00 31.30 O ATOM 5 CB MET A 1 55.163 9.373 9.803 1.00 3.53 C ATOM 6 CG MET A 1 56.227 10.093 10.611 1.00 31.30 C ATOM 7 SD MET A 1 55.704 11.749 11.097 1.00 55.35 S ATOM 8 CE MET A 1 57.172 12.351 11.925 1.00 32.41 C ATOM 0 H1 MET A 1 57.566 7.572 9.105 1.00 22.50 H new ATOM 0 H2 MET A 1 56.635 7.396 7.695 1.00 22.50 H new ATOM 0 H3 MET A 1 57.005 8.946 8.281 1.00 22.50 H new ATOM 0 HA MET A 1 55.733 7.344 10.253 1.00 4.31 H new ATOM 0 HB2 MET A 1 54.939 9.963 8.914 1.00 3.53 H new ATOM 0 HB3 MET A 1 54.248 9.325 10.393 1.00 3.53 H new ATOM 0 HG2 MET A 1 56.461 9.511 11.502 1.00 31.30 H new ATOM 0 HG3 MET A 1 57.143 10.160 10.025 1.00 31.30 H new ATOM 0 HE1 MET A 1 56.998 13.367 12.281 1.00 32.41 H new ATOM 0 HE2 MET A 1 57.403 11.704 12.772 1.00 32.41 H new ATOM 0 HE3 MET A 1 58.010 12.349 11.228 1.00 32.41 H new ATOM 20 N GLY A 2 53.333 6.966 9.243 1.00 51.35 N ATOM 21 CA GLY A 2 52.151 6.499 8.549 1.00 20.12 C ATOM 22 C GLY A 2 51.659 5.161 9.056 1.00 3.42 C ATOM 23 O GLY A 2 52.358 4.471 9.804 1.00 72.34 O ATOM 0 H GLY A 2 53.268 6.954 10.261 1.00 51.35 H new ATOM 0 HA2 GLY A 2 51.357 7.237 8.658 1.00 20.12 H new ATOM 0 HA3 GLY A 2 52.369 6.420 7.484 1.00 20.12 H new ATOM 27 N ASP A 3 50.446 4.804 8.664 1.00 51.14 N ATOM 28 CA ASP A 3 49.872 3.515 9.022 1.00 23.31 C ATOM 29 C ASP A 3 49.767 2.628 7.787 1.00 50.44 C ATOM 30 O ASP A 3 49.196 3.024 6.769 1.00 34.31 O ATOM 31 CB ASP A 3 48.494 3.692 9.665 1.00 64.10 C ATOM 32 CG ASP A 3 47.852 2.367 10.021 1.00 11.45 C ATOM 33 OD1 ASP A 3 47.041 1.862 9.221 1.00 60.21 O ATOM 34 OD2 ASP A 3 48.158 1.820 11.101 1.00 44.43 O1- ATOM 0 H ASP A 3 49.837 5.392 8.095 1.00 51.14 H new ATOM 0 HA ASP A 3 50.528 3.036 9.749 1.00 23.31 H new ATOM 0 HB2 ASP A 3 48.591 4.300 10.565 1.00 64.10 H new ATOM 0 HB3 ASP A 3 47.843 4.236 8.981 1.00 64.10 H new ATOM 39 N ASP A 4 50.328 1.435 7.880 1.00 42.13 N ATOM 40 CA ASP A 4 50.373 0.510 6.754 1.00 42.23 C ATOM 41 C ASP A 4 49.100 -0.333 6.688 1.00 41.44 C ATOM 42 O ASP A 4 48.657 -0.722 5.609 1.00 43.45 O ATOM 43 CB ASP A 4 51.600 -0.396 6.883 1.00 23.13 C ATOM 44 CG ASP A 4 51.873 -1.208 5.636 1.00 34.43 C ATOM 45 OD1 ASP A 4 52.544 -0.683 4.717 1.00 1.52 O ATOM 46 OD2 ASP A 4 51.439 -2.376 5.571 1.00 73.11 O1- ATOM 0 H ASP A 4 50.763 1.079 8.731 1.00 42.13 H new ATOM 0 HA ASP A 4 50.444 1.087 5.832 1.00 42.23 H new ATOM 0 HB2 ASP A 4 52.473 0.216 7.109 1.00 23.13 H new ATOM 0 HB3 ASP A 4 51.458 -1.072 7.726 1.00 23.13 H new ATOM 51 N ASP A 5 48.503 -0.577 7.850 1.00 2.43 N ATOM 52 CA ASP A 5 47.323 -1.439 7.962 1.00 43.12 C ATOM 53 C ASP A 5 46.137 -0.886 7.184 1.00 43.42 C ATOM 54 O ASP A 5 45.342 -1.640 6.625 1.00 12.20 O ATOM 55 CB ASP A 5 46.917 -1.605 9.426 1.00 4.51 C ATOM 56 CG ASP A 5 47.927 -2.385 10.236 1.00 13.40 C ATOM 57 OD1 ASP A 5 47.707 -3.594 10.459 1.00 21.00 O ATOM 58 OD2 ASP A 5 48.937 -1.792 10.668 1.00 72.02 O1- ATOM 0 H ASP A 5 48.818 -0.187 8.738 1.00 2.43 H new ATOM 0 HA ASP A 5 47.597 -2.405 7.537 1.00 43.12 H new ATOM 0 HB2 ASP A 5 46.783 -0.620 9.874 1.00 4.51 H new ATOM 0 HB3 ASP A 5 45.953 -2.111 9.474 1.00 4.51 H new ATOM 63 N SER A 6 46.012 0.429 7.172 1.00 31.21 N ATOM 64 CA SER A 6 44.899 1.091 6.507 1.00 75.43 C ATOM 65 C SER A 6 45.079 1.128 4.990 1.00 1.51 C ATOM 66 O SER A 6 44.148 1.461 4.258 1.00 15.24 O ATOM 67 CB SER A 6 44.739 2.508 7.054 1.00 61.25 C ATOM 68 OG SER A 6 45.989 3.178 7.111 1.00 65.03 O ATOM 0 H SER A 6 46.672 1.066 7.618 1.00 31.21 H new ATOM 0 HA SER A 6 43.997 0.514 6.713 1.00 75.43 H new ATOM 0 HB2 SER A 6 44.051 3.069 6.422 1.00 61.25 H new ATOM 0 HB3 SER A 6 44.298 2.469 8.050 1.00 61.25 H new ATOM 0 HG SER A 6 46.462 2.919 7.930 1.00 65.03 H new ATOM 74 N ALA A 7 46.269 0.777 4.523 1.00 34.43 N ATOM 75 CA ALA A 7 46.582 0.852 3.103 1.00 30.12 C ATOM 76 C ALA A 7 46.501 -0.518 2.436 1.00 5.25 C ATOM 77 O ALA A 7 46.995 -0.705 1.323 1.00 2.14 O ATOM 78 CB ALA A 7 47.961 1.456 2.906 1.00 62.41 C ATOM 0 H ALA A 7 47.033 0.438 5.107 1.00 34.43 H new ATOM 0 HA ALA A 7 45.838 1.493 2.629 1.00 30.12 H new ATOM 0 HB1 ALA A 7 48.187 1.508 1.841 1.00 62.41 H new ATOM 0 HB2 ALA A 7 47.983 2.459 3.331 1.00 62.41 H new ATOM 0 HB3 ALA A 7 48.705 0.835 3.404 1.00 62.41 H new ATOM 84 N VAL A 8 45.877 -1.473 3.111 1.00 43.34 N ATOM 85 CA VAL A 8 45.699 -2.808 2.554 1.00 15.15 C ATOM 86 C VAL A 8 44.584 -2.801 1.509 1.00 12.31 C ATOM 87 O VAL A 8 44.709 -3.426 0.454 1.00 74.32 O ATOM 88 CB VAL A 8 45.376 -3.848 3.650 1.00 25.01 C ATOM 89 CG1 VAL A 8 45.164 -5.228 3.044 1.00 43.30 C ATOM 90 CG2 VAL A 8 46.485 -3.891 4.691 1.00 20.23 C ATOM 0 H VAL A 8 45.485 -1.349 4.045 1.00 43.34 H new ATOM 0 HA VAL A 8 46.640 -3.093 2.084 1.00 15.15 H new ATOM 0 HB VAL A 8 44.451 -3.545 4.140 1.00 25.01 H new ATOM 0 HG11 VAL A 8 44.938 -5.942 3.836 1.00 43.30 H new ATOM 0 HG12 VAL A 8 44.333 -5.192 2.340 1.00 43.30 H new ATOM 0 HG13 VAL A 8 46.069 -5.539 2.522 1.00 43.30 H new ATOM 0 HG21 VAL A 8 46.239 -4.629 5.454 1.00 20.23 H new ATOM 0 HG22 VAL A 8 47.424 -4.165 4.211 1.00 20.23 H new ATOM 0 HG23 VAL A 8 46.587 -2.910 5.155 1.00 20.23 H new ATOM 100 N ASN A 9 43.501 -2.079 1.829 1.00 73.11 N ATOM 101 CA ASN A 9 42.333 -1.917 0.947 1.00 51.02 C ATOM 102 C ASN A 9 41.905 -3.237 0.307 1.00 64.13 C ATOM 103 O ASN A 9 41.594 -3.297 -0.886 1.00 73.51 O ATOM 104 CB ASN A 9 42.560 -0.830 -0.132 1.00 42.32 C ATOM 105 CG ASN A 9 43.689 -1.119 -1.114 1.00 31.03 C ATOM 106 OD1 ASN A 9 43.496 -1.799 -2.124 1.00 42.25 O ATOM 107 ND2 ASN A 9 44.861 -0.560 -0.853 1.00 75.34 N ATOM 0 H ASN A 9 43.409 -1.585 2.717 1.00 73.11 H new ATOM 0 HA ASN A 9 41.517 -1.581 1.586 1.00 51.02 H new ATOM 0 HB2 ASN A 9 41.635 -0.699 -0.694 1.00 42.32 H new ATOM 0 HB3 ASN A 9 42.767 0.117 0.366 1.00 42.32 H new ATOM 0 HD21 ASN A 9 45.641 -0.686 -1.498 1.00 75.34 H new ATOM 0 HD22 ASN A 9 44.984 -0.004 -0.007 1.00 75.34 H new ATOM 114 N ASN A 10 41.854 -4.292 1.115 1.00 43.44 N ATOM 115 CA ASN A 10 41.475 -5.612 0.619 1.00 50.40 C ATOM 116 C ASN A 10 39.976 -5.670 0.329 1.00 42.40 C ATOM 117 O ASN A 10 39.181 -6.095 1.167 1.00 61.42 O ATOM 118 CB ASN A 10 41.859 -6.709 1.615 1.00 32.33 C ATOM 119 CG ASN A 10 41.581 -8.099 1.072 1.00 0.03 C ATOM 120 OD1 ASN A 10 41.655 -8.330 -0.134 1.00 53.23 O ATOM 121 ND2 ASN A 10 41.262 -9.032 1.955 1.00 71.34 N ATOM 0 H ASN A 10 42.069 -4.260 2.112 1.00 43.44 H new ATOM 0 HA ASN A 10 42.020 -5.785 -0.309 1.00 50.40 H new ATOM 0 HB2 ASN A 10 42.918 -6.621 1.859 1.00 32.33 H new ATOM 0 HB3 ASN A 10 41.305 -6.566 2.543 1.00 32.33 H new ATOM 0 HD21 ASN A 10 41.067 -9.983 1.644 1.00 71.34 H new ATOM 0 HD22 ASN A 10 41.211 -8.799 2.947 1.00 71.34 H new ATOM 128 N ASN A 11 39.608 -5.194 -0.854 1.00 64.45 N ATOM 129 CA ASN A 11 38.225 -5.192 -1.314 1.00 44.14 C ATOM 130 C ASN A 11 38.183 -4.713 -2.759 1.00 71.32 C ATOM 131 O ASN A 11 38.630 -3.606 -3.067 1.00 5.03 O ATOM 132 CB ASN A 11 37.352 -4.288 -0.432 1.00 73.31 C ATOM 133 CG ASN A 11 35.889 -4.309 -0.839 1.00 15.31 C ATOM 134 OD1 ASN A 11 35.444 -3.487 -1.640 1.00 5.41 O ATOM 135 ND2 ASN A 11 35.131 -5.250 -0.294 1.00 12.32 N ATOM 0 H ASN A 11 40.265 -4.796 -1.525 1.00 64.45 H new ATOM 0 HA ASN A 11 37.829 -6.205 -1.248 1.00 44.14 H new ATOM 0 HB2 ASN A 11 37.441 -4.606 0.607 1.00 73.31 H new ATOM 0 HB3 ASN A 11 37.725 -3.265 -0.485 1.00 73.31 H new ATOM 0 HD21 ASN A 11 34.142 -5.311 -0.535 1.00 12.32 H new ATOM 0 HD22 ASN A 11 35.537 -5.913 0.366 1.00 12.32 H new ATOM 142 N GLY A 12 37.678 -5.557 -3.644 1.00 2.42 N ATOM 143 CA GLY A 12 37.645 -5.220 -5.048 1.00 22.23 C ATOM 144 C GLY A 12 36.406 -4.442 -5.428 1.00 21.04 C ATOM 145 O GLY A 12 35.311 -5.001 -5.505 1.00 60.41 O ATOM 0 H GLY A 12 37.290 -6.471 -3.413 1.00 2.42 H new ATOM 0 HA2 GLY A 12 38.529 -4.634 -5.298 1.00 22.23 H new ATOM 0 HA3 GLY A 12 37.691 -6.135 -5.639 1.00 22.23 H new ATOM 149 N SER A 13 36.575 -3.147 -5.644 1.00 3.41 N ATOM 150 CA SER A 13 35.492 -2.308 -6.121 1.00 21.33 C ATOM 151 C SER A 13 35.230 -2.585 -7.597 1.00 4.04 C ATOM 152 O SER A 13 35.980 -2.135 -8.465 1.00 44.31 O ATOM 153 CB SER A 13 35.840 -0.834 -5.909 1.00 33.55 C ATOM 154 OG SER A 13 36.137 -0.577 -4.545 1.00 73.34 O ATOM 0 H SER A 13 37.456 -2.655 -5.495 1.00 3.41 H new ATOM 0 HA SER A 13 34.588 -2.538 -5.557 1.00 21.33 H new ATOM 0 HB2 SER A 13 36.695 -0.565 -6.529 1.00 33.55 H new ATOM 0 HB3 SER A 13 35.006 -0.209 -6.228 1.00 33.55 H new ATOM 0 HG SER A 13 36.359 0.371 -4.431 1.00 73.34 H new ATOM 160 N SER A 14 34.184 -3.348 -7.874 1.00 10.51 N ATOM 161 CA SER A 14 33.840 -3.702 -9.240 1.00 34.30 C ATOM 162 C SER A 14 33.131 -2.540 -9.926 1.00 35.42 C ATOM 163 O SER A 14 32.108 -2.056 -9.444 1.00 2.55 O ATOM 164 CB SER A 14 32.964 -4.958 -9.257 1.00 20.33 C ATOM 165 OG SER A 14 31.853 -4.822 -8.384 1.00 63.33 O ATOM 0 H SER A 14 33.558 -3.734 -7.168 1.00 10.51 H new ATOM 0 HA SER A 14 34.757 -3.915 -9.789 1.00 34.30 H new ATOM 0 HB2 SER A 14 32.612 -5.145 -10.271 1.00 20.33 H new ATOM 0 HB3 SER A 14 33.558 -5.823 -8.961 1.00 20.33 H new ATOM 0 HG SER A 14 31.504 -3.908 -8.439 1.00 63.33 H new ATOM 171 N PRO A 15 33.672 -2.070 -11.061 1.00 43.23 N ATOM 172 CA PRO A 15 33.112 -0.942 -11.812 1.00 53.15 C ATOM 173 C PRO A 15 31.827 -1.305 -12.560 1.00 43.11 C ATOM 174 O PRO A 15 31.337 -0.528 -13.381 1.00 11.24 O ATOM 175 CB PRO A 15 34.222 -0.576 -12.813 1.00 15.51 C ATOM 176 CG PRO A 15 35.418 -1.374 -12.404 1.00 72.24 C ATOM 177 CD PRO A 15 34.888 -2.587 -11.700 1.00 32.21 C ATOM 0 HA PRO A 15 32.832 -0.126 -11.146 1.00 53.15 H new ATOM 0 HB2 PRO A 15 33.923 -0.815 -13.833 1.00 15.51 H new ATOM 0 HB3 PRO A 15 34.437 0.492 -12.786 1.00 15.51 H new ATOM 0 HG2 PRO A 15 36.013 -1.656 -13.272 1.00 72.24 H new ATOM 0 HG3 PRO A 15 36.067 -0.795 -11.747 1.00 72.24 H new ATOM 0 HD2 PRO A 15 34.669 -3.398 -12.395 1.00 32.21 H new ATOM 0 HD3 PRO A 15 35.597 -2.976 -10.970 1.00 32.21 H new ATOM 185 N VAL A 16 31.281 -2.478 -12.266 1.00 73.43 N ATOM 186 CA VAL A 16 30.068 -2.952 -12.919 1.00 41.52 C ATOM 187 C VAL A 16 28.851 -2.177 -12.426 1.00 20.23 C ATOM 188 O VAL A 16 28.265 -2.519 -11.400 1.00 31.41 O ATOM 189 CB VAL A 16 29.842 -4.460 -12.674 1.00 73.00 C ATOM 190 CG1 VAL A 16 28.667 -4.971 -13.494 1.00 23.45 C ATOM 191 CG2 VAL A 16 31.101 -5.255 -12.986 1.00 24.42 C ATOM 0 H VAL A 16 31.663 -3.123 -11.574 1.00 73.43 H new ATOM 0 HA VAL A 16 30.197 -2.788 -13.989 1.00 41.52 H new ATOM 0 HB VAL A 16 29.606 -4.598 -11.619 1.00 73.00 H new ATOM 0 HG11 VAL A 16 28.527 -6.035 -13.305 1.00 23.45 H new ATOM 0 HG12 VAL A 16 27.764 -4.430 -13.211 1.00 23.45 H new ATOM 0 HG13 VAL A 16 28.867 -4.814 -14.554 1.00 23.45 H new ATOM 0 HG21 VAL A 16 30.917 -6.314 -12.806 1.00 24.42 H new ATOM 0 HG22 VAL A 16 31.375 -5.107 -14.031 1.00 24.42 H new ATOM 0 HG23 VAL A 16 31.915 -4.914 -12.346 1.00 24.42 H new ATOM 201 N ASN A 17 28.521 -1.096 -13.138 1.00 45.13 N ATOM 202 CA ASN A 17 27.331 -0.282 -12.848 1.00 33.31 C ATOM 203 C ASN A 17 27.467 0.452 -11.515 1.00 70.00 C ATOM 204 O ASN A 17 26.562 1.171 -11.094 1.00 60.40 O ATOM 205 CB ASN A 17 26.065 -1.147 -12.842 1.00 13.42 C ATOM 206 CG ASN A 17 25.822 -1.855 -14.164 1.00 11.51 C ATOM 207 OD1 ASN A 17 26.150 -1.205 -15.272 1.00 42.20 O flip ATOM 208 ND2 ASN A 17 25.323 -2.975 -14.188 1.00 55.34 N flip ATOM 0 H ASN A 17 29.068 -0.759 -13.930 1.00 45.13 H new ATOM 0 HA ASN A 17 27.246 0.462 -13.641 1.00 33.31 H new ATOM 0 HB2 ASN A 17 26.143 -1.889 -12.048 1.00 13.42 H new ATOM 0 HB3 ASN A 17 25.205 -0.520 -12.609 1.00 13.42 H new ATOM 0 HD21 ASN A 17 25.083 -3.445 -13.315 1.00 55.34 H new ATOM 0 HD22 ASN A 17 25.148 -3.436 -15.081 1.00 55.34 H new ATOM 215 N ASN A 18 28.607 0.271 -10.862 1.00 43.01 N ATOM 216 CA ASN A 18 28.865 0.888 -9.570 1.00 44.13 C ATOM 217 C ASN A 18 29.006 2.396 -9.719 1.00 4.42 C ATOM 218 O ASN A 18 28.146 3.162 -9.282 1.00 63.40 O ATOM 219 CB ASN A 18 30.143 0.300 -8.964 1.00 15.44 C ATOM 220 CG ASN A 18 30.425 0.804 -7.561 1.00 20.34 C ATOM 221 OD1 ASN A 18 31.088 1.826 -7.376 1.00 54.30 O ATOM 222 ND2 ASN A 18 29.954 0.069 -6.567 1.00 4.32 N ATOM 0 H ASN A 18 29.374 -0.304 -11.211 1.00 43.01 H new ATOM 0 HA ASN A 18 28.024 0.683 -8.908 1.00 44.13 H new ATOM 0 HB2 ASN A 18 30.061 -0.787 -8.943 1.00 15.44 H new ATOM 0 HB3 ASN A 18 30.988 0.544 -9.608 1.00 15.44 H new ATOM 0 HD21 ASN A 18 30.135 0.341 -5.601 1.00 4.32 H new ATOM 0 HD22 ASN A 18 29.409 -0.770 -6.767 1.00 4.32 H new ATOM 229 N GLN A 19 30.093 2.814 -10.344 1.00 34.42 N ATOM 230 CA GLN A 19 30.344 4.229 -10.565 1.00 34.43 C ATOM 231 C GLN A 19 30.656 4.504 -12.033 1.00 51.44 C ATOM 232 O GLN A 19 30.015 5.342 -12.660 1.00 24.41 O ATOM 233 CB GLN A 19 31.474 4.714 -9.652 1.00 1.25 C ATOM 234 CG GLN A 19 32.709 3.830 -9.681 1.00 51.10 C ATOM 235 CD GLN A 19 33.677 4.148 -8.562 1.00 74.43 C ATOM 236 OE1 GLN A 19 34.569 4.981 -8.715 1.00 74.42 O ATOM 237 NE2 GLN A 19 33.500 3.495 -7.426 1.00 42.34 N ATOM 0 H GLN A 19 30.817 2.194 -10.708 1.00 34.42 H new ATOM 0 HA GLN A 19 29.442 4.787 -10.314 1.00 34.43 H new ATOM 0 HB2 GLN A 19 31.756 5.725 -9.945 1.00 1.25 H new ATOM 0 HB3 GLN A 19 31.103 4.770 -8.629 1.00 1.25 H new ATOM 0 HG2 GLN A 19 32.406 2.786 -9.609 1.00 51.10 H new ATOM 0 HG3 GLN A 19 33.215 3.949 -10.639 1.00 51.10 H new ATOM 0 HE21 GLN A 19 32.747 2.812 -7.342 1.00 42.34 H new ATOM 0 HE22 GLN A 19 34.116 3.674 -6.633 1.00 42.34 H new ATOM 246 N GLY A 20 31.632 3.789 -12.575 1.00 43.22 N ATOM 247 CA GLY A 20 31.997 3.961 -13.966 1.00 20.23 C ATOM 248 C GLY A 20 33.470 3.706 -14.195 1.00 14.50 C ATOM 249 O GLY A 20 34.165 3.223 -13.299 1.00 65.40 O ATOM 0 H GLY A 20 32.180 3.090 -12.073 1.00 43.22 H new ATOM 0 HA2 GLY A 20 31.410 3.280 -14.583 1.00 20.23 H new ATOM 0 HA3 GLY A 20 31.749 4.974 -14.284 1.00 20.23 H new ATOM 253 N GLU A 21 33.943 4.023 -15.390 1.00 70.43 N ATOM 254 CA GLU A 21 35.348 3.853 -15.724 1.00 25.21 C ATOM 255 C GLU A 21 36.065 5.195 -15.681 1.00 22.33 C ATOM 256 O GLU A 21 35.776 6.093 -16.476 1.00 73.10 O ATOM 257 CB GLU A 21 35.489 3.208 -17.106 1.00 73.02 C ATOM 258 CG GLU A 21 36.928 2.954 -17.519 1.00 64.22 C ATOM 259 CD GLU A 21 37.035 2.264 -18.861 1.00 15.43 C ATOM 260 OE1 GLU A 21 36.969 1.016 -18.899 1.00 54.01 O ATOM 261 OE2 GLU A 21 37.184 2.967 -19.882 1.00 14.31 O1- ATOM 0 H GLU A 21 33.373 4.400 -16.147 1.00 70.43 H new ATOM 0 HA GLU A 21 35.808 3.194 -14.988 1.00 25.21 H new ATOM 0 HB2 GLU A 21 34.946 2.263 -17.113 1.00 73.02 H new ATOM 0 HB3 GLU A 21 35.016 3.852 -17.847 1.00 73.02 H new ATOM 0 HG2 GLU A 21 37.464 3.903 -17.559 1.00 64.22 H new ATOM 0 HG3 GLU A 21 37.417 2.343 -16.760 1.00 64.22 H new ATOM 268 N HIS A 22 36.983 5.328 -14.736 1.00 3.23 N ATOM 269 CA HIS A 22 37.743 6.557 -14.567 1.00 12.43 C ATOM 270 C HIS A 22 38.673 6.793 -15.742 1.00 51.25 C ATOM 271 O HIS A 22 39.458 5.922 -16.119 1.00 12.05 O ATOM 272 CB HIS A 22 38.553 6.526 -13.272 1.00 71.14 C ATOM 273 CG HIS A 22 37.723 6.682 -12.041 1.00 44.35 C ATOM 274 ND1 HIS A 22 37.966 5.992 -10.875 1.00 50.21 N ATOM 275 CD2 HIS A 22 36.658 7.476 -11.792 1.00 44.15 C ATOM 276 CE1 HIS A 22 37.083 6.353 -9.964 1.00 41.13 C ATOM 277 NE2 HIS A 22 36.279 7.256 -10.493 1.00 12.14 N ATOM 0 H HIS A 22 37.221 4.593 -14.069 1.00 3.23 H new ATOM 0 HA HIS A 22 37.026 7.376 -14.517 1.00 12.43 H new ATOM 0 HB2 HIS A 22 39.096 5.583 -13.216 1.00 71.14 H new ATOM 0 HB3 HIS A 22 39.298 7.321 -13.301 1.00 71.14 H new ATOM 0 HD2 HIS A 22 36.192 8.158 -12.488 1.00 44.15 H new ATOM 0 HE1 HIS A 22 37.027 5.973 -8.954 1.00 41.13 H new ATOM 0 HE2 HIS A 22 35.504 7.715 -10.014 1.00 12.14 H new ATOM 286 N ILE A 23 38.569 7.975 -16.319 1.00 0.22 N ATOM 287 CA ILE A 23 39.430 8.372 -17.418 1.00 11.25 C ATOM 288 C ILE A 23 40.287 9.559 -16.973 1.00 22.25 C ATOM 289 O ILE A 23 39.995 10.191 -15.963 1.00 42.51 O ATOM 290 CB ILE A 23 38.596 8.744 -18.677 1.00 3.34 C ATOM 291 CG1 ILE A 23 37.581 7.638 -19.004 1.00 25.13 C ATOM 292 CG2 ILE A 23 39.490 8.994 -19.889 1.00 32.34 C ATOM 293 CD1 ILE A 23 38.209 6.304 -19.360 1.00 44.31 C ATOM 0 H ILE A 23 37.890 8.684 -16.042 1.00 0.22 H new ATOM 0 HA ILE A 23 40.073 7.534 -17.687 1.00 11.25 H new ATOM 0 HB ILE A 23 38.061 9.666 -18.448 1.00 3.34 H new ATOM 0 HG12 ILE A 23 36.922 7.500 -18.147 1.00 25.13 H new ATOM 0 HG13 ILE A 23 36.957 7.967 -19.835 1.00 25.13 H new ATOM 0 HG21 ILE A 23 38.873 9.251 -20.750 1.00 32.34 H new ATOM 0 HG22 ILE A 23 40.173 9.816 -19.674 1.00 32.34 H new ATOM 0 HG23 ILE A 23 40.063 8.094 -20.110 1.00 32.34 H new ATOM 0 HD11 ILE A 23 37.425 5.579 -19.577 1.00 44.31 H new ATOM 0 HD12 ILE A 23 38.845 6.424 -20.237 1.00 44.31 H new ATOM 0 HD13 ILE A 23 38.809 5.949 -18.522 1.00 44.31 H new ATOM 305 N GLN A 24 41.333 9.836 -17.722 1.00 71.43 N ATOM 306 CA GLN A 24 42.261 10.920 -17.443 1.00 11.44 C ATOM 307 C GLN A 24 42.874 11.416 -18.742 1.00 52.41 C ATOM 308 O GLN A 24 43.567 10.667 -19.432 1.00 4.25 O ATOM 309 CB GLN A 24 43.382 10.466 -16.499 1.00 34.22 C ATOM 310 CG GLN A 24 42.963 10.350 -15.047 1.00 45.54 C ATOM 311 CD GLN A 24 44.011 9.666 -14.190 1.00 43.44 C ATOM 312 OE1 GLN A 24 44.768 8.821 -14.668 1.00 20.15 O ATOM 313 NE2 GLN A 24 44.059 10.018 -12.916 1.00 11.15 N ATOM 0 H GLN A 24 41.570 9.305 -18.560 1.00 71.43 H new ATOM 0 HA GLN A 24 41.705 11.723 -16.959 1.00 11.44 H new ATOM 0 HB2 GLN A 24 43.756 9.499 -16.836 1.00 34.22 H new ATOM 0 HB3 GLN A 24 44.210 11.171 -16.571 1.00 34.22 H new ATOM 0 HG2 GLN A 24 42.767 11.345 -14.649 1.00 45.54 H new ATOM 0 HG3 GLN A 24 42.029 9.792 -14.986 1.00 45.54 H new ATOM 0 HE21 GLN A 24 43.415 10.722 -12.557 1.00 11.15 H new ATOM 0 HE22 GLN A 24 44.740 9.585 -12.293 1.00 11.15 H new ATOM 322 N VAL A 25 42.600 12.661 -19.078 1.00 72.33 N ATOM 323 CA VAL A 25 43.185 13.280 -20.254 1.00 2.21 C ATOM 324 C VAL A 25 44.126 14.392 -19.818 1.00 52.41 C ATOM 325 O VAL A 25 44.296 14.630 -18.623 1.00 50.52 O ATOM 326 CB VAL A 25 42.110 13.869 -21.198 1.00 44.32 C ATOM 327 CG1 VAL A 25 41.041 12.838 -21.520 1.00 41.00 C ATOM 328 CG2 VAL A 25 41.479 15.117 -20.599 1.00 73.23 C ATOM 0 H VAL A 25 41.972 13.268 -18.551 1.00 72.33 H new ATOM 0 HA VAL A 25 43.724 12.508 -20.802 1.00 2.21 H new ATOM 0 HB VAL A 25 42.607 14.149 -22.127 1.00 44.32 H new ATOM 0 HG11 VAL A 25 40.299 13.279 -22.185 1.00 41.00 H new ATOM 0 HG12 VAL A 25 41.500 11.978 -22.008 1.00 41.00 H new ATOM 0 HG13 VAL A 25 40.557 12.516 -20.598 1.00 41.00 H new ATOM 0 HG21 VAL A 25 40.727 15.509 -21.284 1.00 73.23 H new ATOM 0 HG22 VAL A 25 41.008 14.866 -19.649 1.00 73.23 H new ATOM 0 HG23 VAL A 25 42.249 15.871 -20.435 1.00 73.23 H new ATOM 338 N LYS A 26 44.729 15.071 -20.772 1.00 74.44 N ATOM 339 CA LYS A 26 45.584 16.205 -20.465 1.00 34.43 C ATOM 340 C LYS A 26 45.464 17.269 -21.528 1.00 4.33 C ATOM 341 O LYS A 26 45.863 17.066 -22.668 1.00 44.10 O ATOM 342 CB LYS A 26 47.034 15.761 -20.338 1.00 54.54 C ATOM 343 CG LYS A 26 47.538 15.778 -18.910 1.00 22.30 C ATOM 344 CD LYS A 26 48.967 15.276 -18.829 1.00 20.41 C ATOM 345 CE LYS A 26 49.122 13.938 -19.536 1.00 55.05 C ATOM 346 NZ LYS A 26 50.545 13.627 -19.829 1.00 31.31 N1+ ATOM 0 H LYS A 26 44.645 14.860 -21.766 1.00 74.44 H new ATOM 0 HA LYS A 26 45.258 16.625 -19.513 1.00 34.43 H new ATOM 0 HB2 LYS A 26 47.136 14.753 -20.741 1.00 54.54 H new ATOM 0 HB3 LYS A 26 47.662 16.412 -20.946 1.00 54.54 H new ATOM 0 HG2 LYS A 26 47.482 16.792 -18.514 1.00 22.30 H new ATOM 0 HG3 LYS A 26 46.895 15.156 -18.287 1.00 22.30 H new ATOM 0 HD2 LYS A 26 49.638 16.008 -19.279 1.00 20.41 H new ATOM 0 HD3 LYS A 26 49.261 15.174 -17.784 1.00 20.41 H new ATOM 0 HE2 LYS A 26 48.698 13.148 -18.915 1.00 55.05 H new ATOM 0 HE3 LYS A 26 48.554 13.951 -20.466 1.00 55.05 H new ATOM 0 HZ1 LYS A 26 50.598 12.963 -20.628 1.00 31.31 H new ATOM 0 HZ2 LYS A 26 51.049 14.504 -20.073 1.00 31.31 H new ATOM 0 HZ3 LYS A 26 50.986 13.196 -18.991 1.00 31.31 H new ATOM 360 N VAL A 27 44.937 18.414 -21.152 1.00 15.45 N ATOM 361 CA VAL A 27 44.790 19.490 -22.073 1.00 72.53 C ATOM 362 C VAL A 27 46.014 20.362 -21.935 1.00 72.32 C ATOM 363 O VAL A 27 46.105 21.189 -21.023 1.00 14.32 O ATOM 364 CB VAL A 27 43.488 20.293 -21.817 1.00 61.10 C ATOM 365 CG1 VAL A 27 43.399 21.497 -22.743 1.00 55.43 C ATOM 366 CG2 VAL A 27 42.270 19.398 -22.003 1.00 73.33 C ATOM 0 H VAL A 27 44.606 18.612 -20.208 1.00 15.45 H new ATOM 0 HA VAL A 27 44.706 19.107 -23.090 1.00 72.53 H new ATOM 0 HB VAL A 27 43.510 20.654 -20.789 1.00 61.10 H new ATOM 0 HG11 VAL A 27 42.477 22.043 -22.543 1.00 55.43 H new ATOM 0 HG12 VAL A 27 44.253 22.152 -22.571 1.00 55.43 H new ATOM 0 HG13 VAL A 27 43.403 21.160 -23.780 1.00 55.43 H new ATOM 0 HG21 VAL A 27 41.363 19.975 -21.820 1.00 73.33 H new ATOM 0 HG22 VAL A 27 42.255 19.011 -23.022 1.00 73.33 H new ATOM 0 HG23 VAL A 27 42.319 18.566 -21.300 1.00 73.33 H new ATOM 376 N ARG A 28 46.994 20.111 -22.792 1.00 64.53 N ATOM 377 CA ARG A 28 48.203 20.887 -22.769 1.00 65.22 C ATOM 378 C ARG A 28 47.866 22.257 -23.250 1.00 63.41 C ATOM 379 O ARG A 28 47.596 22.474 -24.436 1.00 71.22 O ATOM 380 CB ARG A 28 49.304 20.292 -23.648 1.00 24.25 C ATOM 381 CG ARG A 28 50.545 21.175 -23.727 1.00 22.13 C ATOM 382 CD ARG A 28 51.583 20.600 -24.668 1.00 44.34 C ATOM 383 NE ARG A 28 51.294 20.943 -26.056 1.00 65.10 N ATOM 384 CZ ARG A 28 52.181 21.460 -26.906 1.00 45.54 C ATOM 385 NH1 ARG A 28 53.447 21.632 -26.544 1.00 33.24 N1+ ATOM 386 NH2 ARG A 28 51.795 21.799 -28.128 1.00 23.30 N ATOM 0 H ARG A 28 46.967 19.380 -23.503 1.00 64.53 H new ATOM 0 HA ARG A 28 48.591 20.898 -21.750 1.00 65.22 H new ATOM 0 HB2 ARG A 28 49.585 19.314 -23.257 1.00 24.25 H new ATOM 0 HB3 ARG A 28 48.913 20.133 -24.653 1.00 24.25 H new ATOM 0 HG2 ARG A 28 50.261 22.172 -24.064 1.00 22.13 H new ATOM 0 HG3 ARG A 28 50.977 21.285 -22.732 1.00 22.13 H new ATOM 0 HD2 ARG A 28 52.570 20.976 -24.397 1.00 44.34 H new ATOM 0 HD3 ARG A 28 51.614 19.516 -24.559 1.00 44.34 H new ATOM 0 HE ARG A 28 50.348 20.776 -26.400 1.00 65.10 H new ATOM 0 HH11 ARG A 28 53.750 21.367 -25.607 1.00 33.24 H new ATOM 0 HH12 ARG A 28 54.117 22.029 -27.203 1.00 33.24 H new ATOM 0 HH21 ARG A 28 50.825 21.664 -28.412 1.00 23.30 H new ATOM 0 HH22 ARG A 28 52.468 22.195 -28.784 1.00 23.30 H new ATOM 400 N SER A 29 47.820 23.169 -22.313 1.00 62.33 N ATOM 401 CA SER A 29 47.542 24.536 -22.644 1.00 61.53 C ATOM 402 C SER A 29 48.612 25.039 -23.628 1.00 72.53 C ATOM 403 O SER A 29 49.680 24.421 -23.738 1.00 31.23 O ATOM 404 CB SER A 29 47.517 25.382 -21.372 1.00 54.21 C ATOM 405 OG SER A 29 48.731 25.250 -20.656 1.00 31.13 O ATOM 0 H SER A 29 47.971 22.988 -21.321 1.00 62.33 H new ATOM 0 HA SER A 29 46.564 24.617 -23.119 1.00 61.53 H new ATOM 0 HB2 SER A 29 47.353 26.429 -21.629 1.00 54.21 H new ATOM 0 HB3 SER A 29 46.683 25.074 -20.742 1.00 54.21 H new ATOM 0 HG SER A 29 48.766 24.367 -20.232 1.00 31.13 H new ATOM 411 N PRO A 30 48.376 26.160 -24.341 1.00 15.42 N ATOM 412 CA PRO A 30 49.298 26.654 -25.387 1.00 23.11 C ATOM 413 C PRO A 30 50.652 27.139 -24.841 1.00 5.11 C ATOM 414 O PRO A 30 51.313 27.986 -25.445 1.00 72.52 O ATOM 415 CB PRO A 30 48.527 27.824 -26.010 1.00 45.42 C ATOM 416 CG PRO A 30 47.593 28.276 -24.944 1.00 63.25 C ATOM 417 CD PRO A 30 47.198 27.037 -24.193 1.00 61.25 C ATOM 0 HA PRO A 30 49.560 25.860 -26.086 1.00 23.11 H new ATOM 0 HB2 PRO A 30 49.201 28.626 -26.311 1.00 45.42 H new ATOM 0 HB3 PRO A 30 47.986 27.510 -26.903 1.00 45.42 H new ATOM 0 HG2 PRO A 30 48.074 28.997 -24.283 1.00 63.25 H new ATOM 0 HG3 PRO A 30 46.720 28.769 -25.372 1.00 63.25 H new ATOM 0 HD2 PRO A 30 46.986 27.252 -23.146 1.00 61.25 H new ATOM 0 HD3 PRO A 30 46.302 26.581 -24.613 1.00 61.25 H new ATOM 425 N ASP A 31 51.071 26.572 -23.720 1.00 62.14 N ATOM 426 CA ASP A 31 52.318 26.951 -23.075 1.00 43.34 C ATOM 427 C ASP A 31 53.148 25.719 -22.746 1.00 13.04 C ATOM 428 O ASP A 31 54.372 25.784 -22.634 1.00 21.24 O ATOM 429 CB ASP A 31 52.028 27.756 -21.803 1.00 0.44 C ATOM 430 CG ASP A 31 53.274 28.043 -20.986 1.00 63.12 C ATOM 431 OD1 ASP A 31 54.229 28.623 -21.536 1.00 44.23 O ATOM 432 OD2 ASP A 31 53.291 27.717 -19.782 1.00 12.51 O1- ATOM 0 H ASP A 31 50.557 25.838 -23.233 1.00 62.14 H new ATOM 0 HA ASP A 31 52.890 27.574 -23.763 1.00 43.34 H new ATOM 0 HB2 ASP A 31 51.554 28.699 -22.076 1.00 0.44 H new ATOM 0 HB3 ASP A 31 51.315 27.208 -21.187 1.00 0.44 H new ATOM 437 N GLY A 32 52.480 24.586 -22.618 1.00 1.23 N ATOM 438 CA GLY A 32 53.155 23.380 -22.200 1.00 64.22 C ATOM 439 C GLY A 32 52.699 22.950 -20.829 1.00 54.14 C ATOM 440 O GLY A 32 53.067 21.877 -20.348 1.00 43.15 O ATOM 0 H GLY A 32 51.481 24.480 -22.796 1.00 1.23 H new ATOM 0 HA2 GLY A 32 52.960 22.583 -22.918 1.00 64.22 H new ATOM 0 HA3 GLY A 32 54.232 23.546 -22.193 1.00 64.22 H new ATOM 444 N ALA A 33 51.906 23.805 -20.190 1.00 1.31 N ATOM 445 CA ALA A 33 51.281 23.465 -18.925 1.00 44.21 C ATOM 446 C ALA A 33 50.191 22.435 -19.168 1.00 14.20 C ATOM 447 O ALA A 33 49.041 22.772 -19.464 1.00 2.30 O ATOM 448 CB ALA A 33 50.718 24.703 -18.243 1.00 42.23 C ATOM 0 H ALA A 33 51.683 24.740 -20.532 1.00 1.31 H new ATOM 0 HA ALA A 33 52.032 23.042 -18.258 1.00 44.21 H new ATOM 0 HB1 ALA A 33 50.256 24.419 -17.298 1.00 42.23 H new ATOM 0 HB2 ALA A 33 51.524 25.413 -18.054 1.00 42.23 H new ATOM 0 HB3 ALA A 33 49.971 25.166 -18.888 1.00 42.23 H new ATOM 454 N GLU A 34 50.582 21.180 -19.094 1.00 63.03 N ATOM 455 CA GLU A 34 49.701 20.079 -19.408 1.00 51.32 C ATOM 456 C GLU A 34 49.146 19.484 -18.121 1.00 22.55 C ATOM 457 O GLU A 34 49.831 18.746 -17.412 1.00 43.25 O ATOM 458 CB GLU A 34 50.490 19.044 -20.209 1.00 4.31 C ATOM 459 CG GLU A 34 49.665 17.941 -20.826 1.00 43.11 C ATOM 460 CD GLU A 34 50.538 16.940 -21.552 1.00 11.42 C ATOM 461 OE1 GLU A 34 51.097 16.044 -20.885 1.00 70.41 O ATOM 462 OE2 GLU A 34 50.687 17.059 -22.783 1.00 0.35 O1- ATOM 0 H GLU A 34 51.521 20.896 -18.814 1.00 63.03 H new ATOM 0 HA GLU A 34 48.855 20.419 -20.006 1.00 51.32 H new ATOM 0 HB2 GLU A 34 51.031 19.559 -21.003 1.00 4.31 H new ATOM 0 HB3 GLU A 34 51.237 18.594 -19.555 1.00 4.31 H new ATOM 0 HG2 GLU A 34 49.095 17.433 -20.049 1.00 43.11 H new ATOM 0 HG3 GLU A 34 48.944 18.370 -21.522 1.00 43.11 H new ATOM 469 N VAL A 35 47.906 19.824 -17.816 1.00 72.24 N ATOM 470 CA VAL A 35 47.299 19.419 -16.561 1.00 1.04 C ATOM 471 C VAL A 35 46.361 18.248 -16.792 1.00 15.44 C ATOM 472 O VAL A 35 45.527 18.280 -17.700 1.00 34.34 O ATOM 473 CB VAL A 35 46.510 20.579 -15.914 1.00 73.02 C ATOM 474 CG1 VAL A 35 45.952 20.163 -14.562 1.00 43.24 C ATOM 475 CG2 VAL A 35 47.393 21.811 -15.776 1.00 72.21 C ATOM 0 H VAL A 35 47.300 20.379 -18.420 1.00 72.24 H new ATOM 0 HA VAL A 35 48.102 19.127 -15.885 1.00 1.04 H new ATOM 0 HB VAL A 35 45.671 20.828 -16.564 1.00 73.02 H new ATOM 0 HG11 VAL A 35 45.400 20.995 -14.125 1.00 43.24 H new ATOM 0 HG12 VAL A 35 45.283 19.312 -14.691 1.00 43.24 H new ATOM 0 HG13 VAL A 35 46.772 19.884 -13.900 1.00 43.24 H new ATOM 0 HG21 VAL A 35 46.822 22.619 -15.319 1.00 72.21 H new ATOM 0 HG22 VAL A 35 48.253 21.574 -15.149 1.00 72.21 H new ATOM 0 HG23 VAL A 35 47.738 22.124 -16.762 1.00 72.21 H new ATOM 485 N PHE A 36 46.522 17.206 -15.988 1.00 22.41 N ATOM 486 CA PHE A 36 45.694 16.022 -16.109 1.00 15.50 C ATOM 487 C PHE A 36 44.280 16.309 -15.633 1.00 3.00 C ATOM 488 O PHE A 36 44.059 16.743 -14.503 1.00 12.52 O ATOM 489 CB PHE A 36 46.315 14.834 -15.351 1.00 12.44 C ATOM 490 CG PHE A 36 46.661 15.112 -13.909 1.00 61.13 C ATOM 491 CD1 PHE A 36 45.797 14.742 -12.889 1.00 3.24 C ATOM 492 CD2 PHE A 36 47.858 15.732 -13.576 1.00 5.12 C ATOM 493 CE1 PHE A 36 46.118 14.987 -11.567 1.00 63.02 C ATOM 494 CE2 PHE A 36 48.183 15.981 -12.254 1.00 41.31 C ATOM 495 CZ PHE A 36 47.311 15.607 -11.250 1.00 34.21 C ATOM 0 H PHE A 36 47.220 17.160 -15.246 1.00 22.41 H new ATOM 0 HA PHE A 36 45.642 15.745 -17.162 1.00 15.50 H new ATOM 0 HB2 PHE A 36 45.620 13.995 -15.388 1.00 12.44 H new ATOM 0 HB3 PHE A 36 47.220 14.522 -15.873 1.00 12.44 H new ATOM 0 HD1 PHE A 36 44.863 14.257 -13.130 1.00 3.24 H new ATOM 0 HD2 PHE A 36 48.544 16.023 -14.358 1.00 5.12 H new ATOM 0 HE1 PHE A 36 45.436 14.694 -10.782 1.00 63.02 H new ATOM 0 HE2 PHE A 36 49.116 16.466 -12.008 1.00 41.31 H new ATOM 0 HZ PHE A 36 47.562 15.799 -10.217 1.00 34.21 H new ATOM 505 N PHE A 37 43.331 16.086 -16.518 1.00 25.01 N ATOM 506 CA PHE A 37 41.938 16.315 -16.219 1.00 62.04 C ATOM 507 C PHE A 37 41.208 14.996 -16.393 1.00 14.13 C ATOM 508 O PHE A 37 41.339 14.344 -17.423 1.00 31.45 O ATOM 509 CB PHE A 37 41.362 17.395 -17.137 1.00 14.23 C ATOM 510 CG PHE A 37 40.252 18.189 -16.505 1.00 31.32 C ATOM 511 CD1 PHE A 37 40.509 19.431 -15.947 1.00 22.33 C ATOM 512 CD2 PHE A 37 38.961 17.693 -16.458 1.00 54.35 C ATOM 513 CE1 PHE A 37 39.497 20.163 -15.357 1.00 21.44 C ATOM 514 CE2 PHE A 37 37.945 18.418 -15.871 1.00 51.45 C ATOM 515 CZ PHE A 37 38.212 19.655 -15.319 1.00 44.14 C ATOM 0 H PHE A 37 43.506 15.742 -17.462 1.00 25.01 H new ATOM 0 HA PHE A 37 41.818 16.672 -15.196 1.00 62.04 H new ATOM 0 HB2 PHE A 37 42.162 18.074 -17.432 1.00 14.23 H new ATOM 0 HB3 PHE A 37 40.990 16.926 -18.048 1.00 14.23 H new ATOM 0 HD1 PHE A 37 41.512 19.831 -15.974 1.00 22.33 H new ATOM 0 HD2 PHE A 37 38.746 16.725 -16.887 1.00 54.35 H new ATOM 0 HE1 PHE A 37 39.709 21.130 -14.926 1.00 21.44 H new ATOM 0 HE2 PHE A 37 36.942 18.019 -15.843 1.00 51.45 H new ATOM 0 HZ PHE A 37 37.418 20.225 -14.858 1.00 44.14 H new ATOM 525 N LYS A 38 40.446 14.598 -15.401 1.00 43.23 N ATOM 526 CA LYS A 38 39.963 13.233 -15.350 1.00 35.22 C ATOM 527 C LYS A 38 38.498 13.164 -15.716 1.00 51.03 C ATOM 528 O LYS A 38 37.788 14.170 -15.686 1.00 30.24 O ATOM 529 CB LYS A 38 40.162 12.642 -13.952 1.00 15.03 C ATOM 530 CG LYS A 38 41.435 13.102 -13.254 1.00 64.22 C ATOM 531 CD LYS A 38 41.512 12.577 -11.825 1.00 33.25 C ATOM 532 CE LYS A 38 40.323 13.037 -10.988 1.00 40.42 C ATOM 533 NZ LYS A 38 40.432 12.602 -9.570 1.00 40.01 N1+ ATOM 0 H LYS A 38 40.148 15.190 -14.626 1.00 43.23 H new ATOM 0 HA LYS A 38 40.538 12.653 -16.072 1.00 35.22 H new ATOM 0 HB2 LYS A 38 39.305 12.907 -13.332 1.00 15.03 H new ATOM 0 HB3 LYS A 38 40.176 11.555 -14.028 1.00 15.03 H new ATOM 0 HG2 LYS A 38 42.303 12.758 -13.816 1.00 64.22 H new ATOM 0 HG3 LYS A 38 41.472 14.191 -13.245 1.00 64.22 H new ATOM 0 HD2 LYS A 38 41.547 11.488 -11.839 1.00 33.25 H new ATOM 0 HD3 LYS A 38 42.437 12.919 -11.361 1.00 33.25 H new ATOM 0 HE2 LYS A 38 40.251 14.124 -11.028 1.00 40.42 H new ATOM 0 HE3 LYS A 38 39.403 12.641 -11.418 1.00 40.42 H new ATOM 0 HZ1 LYS A 38 39.603 12.937 -9.039 1.00 40.01 H new ATOM 0 HZ2 LYS A 38 40.474 11.564 -9.528 1.00 40.01 H new ATOM 0 HZ3 LYS A 38 41.296 13.001 -9.150 1.00 40.01 H new ATOM 547 N ILE A 39 38.053 11.972 -16.045 1.00 41.44 N ATOM 548 CA ILE A 39 36.662 11.733 -16.332 1.00 3.01 C ATOM 549 C ILE A 39 36.095 10.788 -15.275 1.00 15.21 C ATOM 550 O ILE A 39 36.730 9.788 -14.932 1.00 30.24 O ATOM 551 CB ILE A 39 36.477 11.136 -17.746 1.00 12.45 C ATOM 552 CG1 ILE A 39 37.122 12.049 -18.793 1.00 11.22 C ATOM 553 CG2 ILE A 39 35.003 10.946 -18.057 1.00 43.02 C ATOM 554 CD1 ILE A 39 36.934 11.574 -20.219 1.00 42.02 C ATOM 0 H ILE A 39 38.646 11.145 -16.120 1.00 41.44 H new ATOM 0 HA ILE A 39 36.125 12.681 -16.306 1.00 3.01 H new ATOM 0 HB ILE A 39 36.966 10.162 -17.776 1.00 12.45 H new ATOM 0 HG12 ILE A 39 36.703 13.050 -18.696 1.00 11.22 H new ATOM 0 HG13 ILE A 39 38.189 12.128 -18.584 1.00 11.22 H new ATOM 0 HG21 ILE A 39 34.893 10.525 -19.056 1.00 43.02 H new ATOM 0 HG22 ILE A 39 34.562 10.268 -17.327 1.00 43.02 H new ATOM 0 HG23 ILE A 39 34.494 11.909 -18.011 1.00 43.02 H new ATOM 0 HD11 ILE A 39 37.418 12.272 -20.902 1.00 42.02 H new ATOM 0 HD12 ILE A 39 37.379 10.586 -20.335 1.00 42.02 H new ATOM 0 HD13 ILE A 39 35.870 11.522 -20.448 1.00 42.02 H new ATOM 566 N LYS A 40 34.918 11.106 -14.754 1.00 5.12 N ATOM 567 CA LYS A 40 34.338 10.338 -13.655 1.00 34.14 C ATOM 568 C LYS A 40 33.416 9.262 -14.209 1.00 65.10 C ATOM 569 O LYS A 40 33.792 8.092 -14.284 1.00 60.22 O ATOM 570 CB LYS A 40 33.581 11.272 -12.708 1.00 24.04 C ATOM 571 CG LYS A 40 34.416 12.464 -12.259 1.00 24.31 C ATOM 572 CD LYS A 40 33.612 13.448 -11.426 1.00 53.32 C ATOM 573 CE LYS A 40 33.240 12.874 -10.070 1.00 24.33 C ATOM 574 NZ LYS A 40 32.556 13.877 -9.215 1.00 41.13 N1+ ATOM 0 H LYS A 40 34.345 11.888 -15.072 1.00 5.12 H new ATOM 0 HA LYS A 40 35.135 9.852 -13.091 1.00 34.14 H new ATOM 0 HB2 LYS A 40 32.680 11.632 -13.204 1.00 24.04 H new ATOM 0 HB3 LYS A 40 33.259 10.710 -11.832 1.00 24.04 H new ATOM 0 HG2 LYS A 40 35.268 12.110 -11.678 1.00 24.31 H new ATOM 0 HG3 LYS A 40 34.817 12.975 -13.134 1.00 24.31 H new ATOM 0 HD2 LYS A 40 34.189 14.362 -11.287 1.00 53.32 H new ATOM 0 HD3 LYS A 40 32.705 13.723 -11.965 1.00 53.32 H new ATOM 0 HE2 LYS A 40 32.590 12.010 -10.207 1.00 24.33 H new ATOM 0 HE3 LYS A 40 34.139 12.520 -9.566 1.00 24.33 H new ATOM 0 HZ1 LYS A 40 32.318 13.447 -8.298 1.00 41.13 H new ATOM 0 HZ2 LYS A 40 33.186 14.691 -9.063 1.00 41.13 H new ATOM 0 HZ3 LYS A 40 31.684 14.196 -9.684 1.00 41.13 H new ATOM 588 N ARG A 41 32.212 9.658 -14.592 1.00 61.11 N ATOM 589 CA ARG A 41 31.371 8.816 -15.421 1.00 55.41 C ATOM 590 C ARG A 41 31.545 9.282 -16.850 1.00 11.40 C ATOM 591 O ARG A 41 32.149 10.336 -17.068 1.00 73.11 O ATOM 592 CB ARG A 41 29.897 8.896 -15.009 1.00 22.45 C ATOM 593 CG ARG A 41 29.614 8.335 -13.624 1.00 52.54 C ATOM 594 CD ARG A 41 28.120 8.162 -13.387 1.00 73.40 C ATOM 595 NE ARG A 41 27.831 7.646 -12.048 1.00 54.01 N ATOM 596 CZ ARG A 41 27.083 6.563 -11.810 1.00 61.02 C ATOM 597 NH1 ARG A 41 26.577 5.858 -12.818 1.00 20.44 N1+ ATOM 598 NH2 ARG A 41 26.850 6.181 -10.561 1.00 0.21 N ATOM 0 H ARG A 41 31.798 10.556 -14.341 1.00 61.11 H new ATOM 0 HA ARG A 41 31.667 7.773 -15.306 1.00 55.41 H new ATOM 0 HB2 ARG A 41 29.577 9.937 -15.041 1.00 22.45 H new ATOM 0 HB3 ARG A 41 29.296 8.355 -15.740 1.00 22.45 H new ATOM 0 HG2 ARG A 41 30.115 7.374 -13.510 1.00 52.54 H new ATOM 0 HG3 ARG A 41 30.029 9.002 -12.868 1.00 52.54 H new ATOM 0 HD2 ARG A 41 27.619 9.120 -13.522 1.00 73.40 H new ATOM 0 HD3 ARG A 41 27.711 7.481 -14.134 1.00 73.40 H new ATOM 0 HE ARG A 41 28.224 8.142 -11.248 1.00 54.01 H new ATOM 0 HH11 ARG A 41 26.758 6.142 -13.781 1.00 20.44 H new ATOM 0 HH12 ARG A 41 26.008 5.033 -12.628 1.00 20.44 H new ATOM 0 HH21 ARG A 41 27.241 6.713 -9.784 1.00 0.21 H new ATOM 0 HH22 ARG A 41 26.280 5.355 -10.378 1.00 0.21 H new ATOM 612 N LYS A 42 31.034 8.528 -17.814 1.00 54.02 N ATOM 613 CA LYS A 42 31.191 8.888 -19.219 1.00 62.15 C ATOM 614 C LYS A 42 30.682 10.298 -19.468 1.00 3.33 C ATOM 615 O LYS A 42 29.476 10.542 -19.542 1.00 72.44 O ATOM 616 CB LYS A 42 30.471 7.881 -20.124 1.00 51.35 C ATOM 617 CG LYS A 42 30.663 8.106 -21.621 1.00 53.14 C ATOM 618 CD LYS A 42 29.635 9.066 -22.220 1.00 3.24 C ATOM 619 CE LYS A 42 28.214 8.506 -22.175 1.00 73.02 C ATOM 620 NZ LYS A 42 27.588 8.640 -20.829 1.00 32.32 N1+ ATOM 0 H LYS A 42 30.510 7.668 -17.652 1.00 54.02 H new ATOM 0 HA LYS A 42 32.253 8.860 -19.462 1.00 62.15 H new ATOM 0 HB2 LYS A 42 30.819 6.878 -19.875 1.00 51.35 H new ATOM 0 HB3 LYS A 42 29.405 7.913 -19.901 1.00 51.35 H new ATOM 0 HG2 LYS A 42 31.664 8.499 -21.798 1.00 53.14 H new ATOM 0 HG3 LYS A 42 30.601 7.148 -22.137 1.00 53.14 H new ATOM 0 HD2 LYS A 42 29.667 10.011 -21.678 1.00 3.24 H new ATOM 0 HD3 LYS A 42 29.904 9.282 -23.254 1.00 3.24 H new ATOM 0 HE2 LYS A 42 27.599 9.025 -22.911 1.00 73.02 H new ATOM 0 HE3 LYS A 42 28.233 7.454 -22.460 1.00 73.02 H new ATOM 0 HZ1 LYS A 42 27.496 7.700 -20.394 1.00 32.32 H new ATOM 0 HZ2 LYS A 42 28.184 9.243 -20.227 1.00 32.32 H new ATOM 0 HZ3 LYS A 42 26.646 9.070 -20.925 1.00 32.32 H new ATOM 634 N THR A 43 31.614 11.222 -19.564 1.00 11.20 N ATOM 635 CA THR A 43 31.301 12.591 -19.874 1.00 30.45 C ATOM 636 C THR A 43 32.055 13.020 -21.115 1.00 71.22 C ATOM 637 O THR A 43 33.285 12.991 -21.147 1.00 12.31 O ATOM 638 CB THR A 43 31.610 13.537 -18.697 1.00 43.34 C ATOM 639 OG1 THR A 43 32.605 12.960 -17.840 1.00 31.45 O ATOM 640 CG2 THR A 43 30.352 13.832 -17.894 1.00 44.42 C ATOM 0 H THR A 43 32.608 11.040 -19.428 1.00 11.20 H new ATOM 0 HA THR A 43 30.229 12.655 -20.061 1.00 30.45 H new ATOM 0 HB THR A 43 31.990 14.472 -19.108 1.00 43.34 H new ATOM 0 HG1 THR A 43 32.288 12.094 -17.508 1.00 31.45 H new ATOM 0 HG21 THR A 43 30.596 14.501 -17.069 1.00 44.42 H new ATOM 0 HG22 THR A 43 29.611 14.305 -18.539 1.00 44.42 H new ATOM 0 HG23 THR A 43 29.946 12.901 -17.498 1.00 44.42 H new ATOM 648 N LYS A 44 31.284 13.329 -22.150 1.00 62.32 N ATOM 649 CA LYS A 44 31.803 13.821 -23.427 1.00 25.23 C ATOM 650 C LYS A 44 33.013 14.741 -23.238 1.00 4.31 C ATOM 651 O LYS A 44 33.001 15.652 -22.406 1.00 45.53 O ATOM 652 CB LYS A 44 30.684 14.541 -24.185 1.00 50.13 C ATOM 653 CG LYS A 44 29.443 13.674 -24.372 1.00 21.31 C ATOM 654 CD LYS A 44 28.224 14.500 -24.748 1.00 45.42 C ATOM 655 CE LYS A 44 28.288 15.001 -26.179 1.00 25.02 C ATOM 656 NZ LYS A 44 27.959 13.936 -27.166 1.00 21.22 N1+ ATOM 0 H LYS A 44 30.268 13.245 -22.129 1.00 62.32 H new ATOM 0 HA LYS A 44 32.147 12.966 -24.010 1.00 25.23 H new ATOM 0 HB2 LYS A 44 30.410 15.447 -23.645 1.00 50.13 H new ATOM 0 HB3 LYS A 44 31.055 14.852 -25.162 1.00 50.13 H new ATOM 0 HG2 LYS A 44 29.632 12.933 -25.148 1.00 21.31 H new ATOM 0 HG3 LYS A 44 29.241 13.127 -23.451 1.00 21.31 H new ATOM 0 HD2 LYS A 44 27.325 13.898 -24.616 1.00 45.42 H new ATOM 0 HD3 LYS A 44 28.141 15.350 -24.071 1.00 45.42 H new ATOM 0 HE2 LYS A 44 27.595 15.833 -26.301 1.00 25.02 H new ATOM 0 HE3 LYS A 44 29.287 15.386 -26.383 1.00 25.02 H new ATOM 0 HZ1 LYS A 44 27.966 14.338 -28.125 1.00 21.22 H new ATOM 0 HZ2 LYS A 44 28.665 13.175 -27.104 1.00 21.22 H new ATOM 0 HZ3 LYS A 44 27.016 13.550 -26.959 1.00 21.22 H new ATOM 670 N LEU A 45 34.039 14.495 -24.052 1.00 35.14 N ATOM 671 CA LEU A 45 35.374 15.082 -23.875 1.00 14.24 C ATOM 672 C LEU A 45 35.364 16.607 -23.855 1.00 21.03 C ATOM 673 O LEU A 45 36.297 17.228 -23.348 1.00 72.43 O ATOM 674 CB LEU A 45 36.300 14.614 -25.001 1.00 45.14 C ATOM 675 CG LEU A 45 36.535 13.104 -25.080 1.00 62.15 C ATOM 676 CD1 LEU A 45 37.363 12.761 -26.310 1.00 1.23 C ATOM 677 CD2 LEU A 45 37.227 12.610 -23.821 1.00 32.21 C ATOM 0 H LEU A 45 33.970 13.878 -24.861 1.00 35.14 H new ATOM 0 HA LEU A 45 35.732 14.742 -22.903 1.00 14.24 H new ATOM 0 HB2 LEU A 45 35.885 14.949 -25.951 1.00 45.14 H new ATOM 0 HB3 LEU A 45 37.264 15.108 -24.883 1.00 45.14 H new ATOM 0 HG LEU A 45 35.569 12.606 -25.162 1.00 62.15 H new ATOM 0 HD11 LEU A 45 37.522 11.684 -26.353 1.00 1.23 H new ATOM 0 HD12 LEU A 45 36.835 13.086 -27.206 1.00 1.23 H new ATOM 0 HD13 LEU A 45 38.326 13.268 -26.253 1.00 1.23 H new ATOM 0 HD21 LEU A 45 37.387 11.534 -23.892 1.00 32.21 H new ATOM 0 HD22 LEU A 45 38.188 13.114 -23.712 1.00 32.21 H new ATOM 0 HD23 LEU A 45 36.603 12.827 -22.954 1.00 32.21 H new ATOM 689 N GLU A 46 34.315 17.204 -24.391 1.00 23.02 N ATOM 690 CA GLU A 46 34.271 18.648 -24.562 1.00 4.12 C ATOM 691 C GLU A 46 34.259 19.386 -23.223 1.00 12.14 C ATOM 692 O GLU A 46 34.701 20.526 -23.137 1.00 22.14 O ATOM 693 CB GLU A 46 33.072 19.046 -25.421 1.00 14.42 C ATOM 694 CG GLU A 46 33.079 18.359 -26.775 1.00 64.54 C ATOM 695 CD GLU A 46 32.117 18.967 -27.769 1.00 23.41 C ATOM 696 OE1 GLU A 46 31.103 19.555 -27.342 1.00 71.11 O ATOM 697 OE2 GLU A 46 32.368 18.841 -28.987 1.00 72.42 O1- ATOM 0 H GLU A 46 33.482 16.713 -24.716 1.00 23.02 H new ATOM 0 HA GLU A 46 35.184 18.947 -25.078 1.00 4.12 H new ATOM 0 HB2 GLU A 46 32.151 18.796 -24.894 1.00 14.42 H new ATOM 0 HB3 GLU A 46 33.073 20.127 -25.564 1.00 14.42 H new ATOM 0 HG2 GLU A 46 34.087 18.399 -27.187 1.00 64.54 H new ATOM 0 HG3 GLU A 46 32.831 17.306 -26.640 1.00 64.54 H new ATOM 704 N LYS A 47 33.794 18.728 -22.171 1.00 62.41 N ATOM 705 CA LYS A 47 33.751 19.358 -20.857 1.00 33.34 C ATOM 706 C LYS A 47 35.163 19.512 -20.291 1.00 42.22 C ATOM 707 O LYS A 47 35.443 20.444 -19.539 1.00 54.00 O ATOM 708 CB LYS A 47 32.864 18.548 -19.900 1.00 45.33 C ATOM 709 CG LYS A 47 33.465 17.222 -19.455 1.00 32.31 C ATOM 710 CD LYS A 47 34.200 17.354 -18.131 1.00 42.23 C ATOM 711 CE LYS A 47 33.223 17.459 -16.967 1.00 42.04 C ATOM 712 NZ LYS A 47 33.910 17.546 -15.655 1.00 24.31 N1+ ATOM 0 H LYS A 47 33.445 17.770 -22.198 1.00 62.41 H new ATOM 0 HA LYS A 47 33.316 20.352 -20.963 1.00 33.34 H new ATOM 0 HB2 LYS A 47 32.656 19.153 -19.017 1.00 45.33 H new ATOM 0 HB3 LYS A 47 31.908 18.354 -20.386 1.00 45.33 H new ATOM 0 HG2 LYS A 47 32.674 16.478 -19.360 1.00 32.31 H new ATOM 0 HG3 LYS A 47 34.153 16.860 -20.219 1.00 32.31 H new ATOM 0 HD2 LYS A 47 34.851 16.492 -17.986 1.00 42.23 H new ATOM 0 HD3 LYS A 47 34.839 18.236 -18.153 1.00 42.23 H new ATOM 0 HE2 LYS A 47 32.594 18.339 -17.103 1.00 42.04 H new ATOM 0 HE3 LYS A 47 32.563 16.591 -16.971 1.00 42.04 H new ATOM 0 HZ1 LYS A 47 33.202 17.616 -14.896 1.00 24.31 H new ATOM 0 HZ2 LYS A 47 34.490 16.695 -15.510 1.00 24.31 H new ATOM 0 HZ3 LYS A 47 34.520 18.388 -15.638 1.00 24.31 H new ATOM 726 N LEU A 48 36.053 18.605 -20.689 1.00 14.11 N ATOM 727 CA LEU A 48 37.420 18.567 -20.178 1.00 44.42 C ATOM 728 C LEU A 48 38.158 19.869 -20.460 1.00 0.14 C ATOM 729 O LEU A 48 38.898 20.358 -19.609 1.00 70.35 O ATOM 730 CB LEU A 48 38.168 17.379 -20.780 1.00 44.10 C ATOM 731 CG LEU A 48 37.659 16.004 -20.333 1.00 40.42 C ATOM 732 CD1 LEU A 48 38.070 14.940 -21.332 1.00 3.42 C ATOM 733 CD2 LEU A 48 38.186 15.661 -18.950 1.00 0.32 C ATOM 0 H LEU A 48 35.847 17.877 -21.373 1.00 14.11 H new ATOM 0 HA LEU A 48 37.376 18.447 -19.096 1.00 44.42 H new ATOM 0 HB2 LEU A 48 38.102 17.439 -21.866 1.00 44.10 H new ATOM 0 HB3 LEU A 48 39.223 17.462 -20.519 1.00 44.10 H new ATOM 0 HG LEU A 48 36.571 16.039 -20.287 1.00 40.42 H new ATOM 0 HD11 LEU A 48 37.702 13.969 -21.001 1.00 3.42 H new ATOM 0 HD12 LEU A 48 37.647 15.175 -22.309 1.00 3.42 H new ATOM 0 HD13 LEU A 48 39.157 14.910 -21.405 1.00 3.42 H new ATOM 0 HD21 LEU A 48 37.813 14.681 -18.651 1.00 0.32 H new ATOM 0 HD22 LEU A 48 39.276 15.644 -18.970 1.00 0.32 H new ATOM 0 HD23 LEU A 48 37.848 16.411 -18.235 1.00 0.32 H new ATOM 745 N MET A 49 37.951 20.450 -21.638 1.00 43.23 N ATOM 746 CA MET A 49 38.622 21.699 -21.956 1.00 60.12 C ATOM 747 C MET A 49 37.740 22.902 -21.628 1.00 53.42 C ATOM 748 O MET A 49 38.256 23.988 -21.380 1.00 5.35 O ATOM 749 CB MET A 49 39.071 21.758 -23.423 1.00 51.40 C ATOM 750 CG MET A 49 37.938 21.935 -24.416 1.00 63.31 C ATOM 751 SD MET A 49 37.195 20.381 -24.926 1.00 50.54 S ATOM 752 CE MET A 49 35.965 20.982 -26.084 1.00 11.13 C ATOM 0 H MET A 49 37.340 20.085 -22.369 1.00 43.23 H new ATOM 0 HA MET A 49 39.515 21.739 -21.332 1.00 60.12 H new ATOM 0 HB2 MET A 49 39.775 22.581 -23.542 1.00 51.40 H new ATOM 0 HB3 MET A 49 39.609 20.841 -23.663 1.00 51.40 H new ATOM 0 HG2 MET A 49 37.170 22.569 -23.972 1.00 63.31 H new ATOM 0 HG3 MET A 49 38.313 22.457 -25.296 1.00 63.31 H new ATOM 0 HE1 MET A 49 35.908 20.306 -26.937 1.00 11.13 H new ATOM 0 HE2 MET A 49 34.994 21.028 -25.592 1.00 11.13 H new ATOM 0 HE3 MET A 49 36.245 21.978 -26.428 1.00 11.13 H new ATOM 762 N GLU A 50 36.417 22.719 -21.589 1.00 62.40 N ATOM 763 CA GLU A 50 35.523 23.848 -21.323 1.00 61.02 C ATOM 764 C GLU A 50 35.587 24.263 -19.860 1.00 64.22 C ATOM 765 O GLU A 50 35.540 25.453 -19.545 1.00 60.03 O ATOM 766 CB GLU A 50 34.076 23.547 -21.699 1.00 62.50 C ATOM 767 CG GLU A 50 33.822 23.452 -23.194 1.00 60.44 C ATOM 768 CD GLU A 50 32.364 23.177 -23.507 1.00 51.34 C ATOM 769 OE1 GLU A 50 31.977 21.994 -23.574 1.00 24.22 O ATOM 770 OE2 GLU A 50 31.588 24.145 -23.663 1.00 23.12 O1- ATOM 0 H GLU A 50 35.951 21.823 -21.734 1.00 62.40 H new ATOM 0 HA GLU A 50 35.872 24.668 -21.951 1.00 61.02 H new ATOM 0 HB2 GLU A 50 33.780 22.607 -21.232 1.00 62.50 H new ATOM 0 HB3 GLU A 50 33.436 24.325 -21.283 1.00 62.50 H new ATOM 0 HG2 GLU A 50 34.126 24.383 -23.673 1.00 60.44 H new ATOM 0 HG3 GLU A 50 34.439 22.659 -23.617 1.00 60.44 H new ATOM 777 N VAL A 51 35.703 23.285 -18.968 1.00 23.21 N ATOM 778 CA VAL A 51 35.869 23.581 -17.548 1.00 24.13 C ATOM 779 C VAL A 51 37.191 24.316 -17.331 1.00 13.12 C ATOM 780 O VAL A 51 37.355 25.078 -16.378 1.00 53.21 O ATOM 781 CB VAL A 51 35.820 22.297 -16.687 1.00 43.11 C ATOM 782 CG1 VAL A 51 36.048 22.615 -15.218 1.00 70.21 C ATOM 783 CG2 VAL A 51 34.487 21.588 -16.865 1.00 72.35 C ATOM 0 H VAL A 51 35.686 22.291 -19.198 1.00 23.21 H new ATOM 0 HA VAL A 51 35.041 24.216 -17.233 1.00 24.13 H new ATOM 0 HB VAL A 51 36.620 21.638 -17.024 1.00 43.11 H new ATOM 0 HG11 VAL A 51 36.008 21.694 -14.636 1.00 70.21 H new ATOM 0 HG12 VAL A 51 37.026 23.081 -15.094 1.00 70.21 H new ATOM 0 HG13 VAL A 51 35.274 23.298 -14.869 1.00 70.21 H new ATOM 0 HG21 VAL A 51 34.470 20.687 -16.252 1.00 72.35 H new ATOM 0 HG22 VAL A 51 33.678 22.251 -16.558 1.00 72.35 H new ATOM 0 HG23 VAL A 51 34.356 21.317 -17.913 1.00 72.35 H new ATOM 793 N TYR A 52 38.119 24.095 -18.251 1.00 25.31 N ATOM 794 CA TYR A 52 39.398 24.781 -18.233 1.00 60.25 C ATOM 795 C TYR A 52 39.264 26.173 -18.856 1.00 22.34 C ATOM 796 O TYR A 52 39.924 27.117 -18.415 1.00 70.03 O ATOM 797 CB TYR A 52 40.446 23.948 -18.974 1.00 50.21 C ATOM 798 CG TYR A 52 41.851 24.507 -18.908 1.00 54.44 C ATOM 799 CD1 TYR A 52 42.466 25.028 -20.040 1.00 10.40 C ATOM 800 CD2 TYR A 52 42.564 24.507 -17.714 1.00 35.44 C ATOM 801 CE1 TYR A 52 43.750 25.535 -19.984 1.00 44.31 C ATOM 802 CE2 TYR A 52 43.847 25.013 -17.649 1.00 2.44 C ATOM 803 CZ TYR A 52 44.435 25.526 -18.787 1.00 61.10 C ATOM 804 OH TYR A 52 45.712 26.036 -18.728 1.00 70.14 O ATOM 0 H TYR A 52 38.006 23.440 -19.024 1.00 25.31 H new ATOM 0 HA TYR A 52 39.723 24.904 -17.200 1.00 60.25 H new ATOM 0 HB2 TYR A 52 40.450 22.940 -18.560 1.00 50.21 H new ATOM 0 HB3 TYR A 52 40.151 23.862 -20.020 1.00 50.21 H new ATOM 0 HD1 TYR A 52 41.932 25.037 -20.979 1.00 10.40 H new ATOM 0 HD2 TYR A 52 42.106 24.104 -16.822 1.00 35.44 H new ATOM 0 HE1 TYR A 52 44.215 25.936 -20.873 1.00 44.31 H new ATOM 0 HE2 TYR A 52 44.387 25.007 -16.714 1.00 2.44 H new ATOM 0 HH TYR A 52 46.054 25.956 -17.813 1.00 70.14 H new ATOM 814 N CYS A 53 38.406 26.297 -19.873 1.00 62.33 N ATOM 815 CA CYS A 53 38.104 27.587 -20.477 1.00 41.30 C ATOM 816 C CYS A 53 37.657 28.597 -19.424 1.00 4.33 C ATOM 817 O CYS A 53 38.262 29.659 -19.256 1.00 34.34 O ATOM 818 CB CYS A 53 37.010 27.419 -21.529 1.00 62.10 C ATOM 819 SG CYS A 53 37.455 26.307 -22.878 1.00 24.41 S ATOM 0 H CYS A 53 37.909 25.512 -20.293 1.00 62.33 H new ATOM 0 HA CYS A 53 39.012 27.965 -20.948 1.00 41.30 H new ATOM 0 HB2 CYS A 53 36.109 27.044 -21.044 1.00 62.10 H new ATOM 0 HB3 CYS A 53 36.765 28.397 -21.943 1.00 62.10 H new ATOM 0 HG CYS A 53 37.976 25.220 -22.391 1.00 24.41 H new ATOM 825 N ASN A 54 36.608 28.239 -18.696 1.00 31.24 N ATOM 826 CA ASN A 54 36.034 29.120 -17.687 1.00 23.21 C ATOM 827 C ASN A 54 36.987 29.292 -16.504 1.00 50.15 C ATOM 828 O ASN A 54 36.893 30.261 -15.751 1.00 44.41 O ATOM 829 CB ASN A 54 34.690 28.560 -17.215 1.00 60.32 C ATOM 830 CG ASN A 54 33.966 29.488 -16.258 1.00 62.25 C ATOM 831 OD1 ASN A 54 34.122 29.392 -15.039 1.00 53.02 O ATOM 832 ND2 ASN A 54 33.177 30.402 -16.800 1.00 23.34 N ATOM 0 H ASN A 54 36.135 27.340 -18.786 1.00 31.24 H new ATOM 0 HA ASN A 54 35.875 30.102 -18.133 1.00 23.21 H new ATOM 0 HB2 ASN A 54 34.056 28.373 -18.082 1.00 60.32 H new ATOM 0 HB3 ASN A 54 34.854 27.599 -16.727 1.00 60.32 H new ATOM 0 HD21 ASN A 54 32.672 31.058 -16.204 1.00 23.34 H new ATOM 0 HD22 ASN A 54 33.074 30.450 -17.814 1.00 23.34 H new ATOM 839 N ARG A 55 37.921 28.359 -16.367 1.00 12.20 N ATOM 840 CA ARG A 55 38.859 28.367 -15.256 1.00 42.42 C ATOM 841 C ARG A 55 39.802 29.563 -15.334 1.00 32.14 C ATOM 842 O ARG A 55 40.017 30.256 -14.341 1.00 34.11 O ATOM 843 CB ARG A 55 39.658 27.066 -15.232 1.00 23.13 C ATOM 844 CG ARG A 55 40.561 26.919 -14.020 1.00 12.33 C ATOM 845 CD ARG A 55 41.147 25.521 -13.943 1.00 14.04 C ATOM 846 NE ARG A 55 41.918 25.312 -12.719 1.00 32.42 N ATOM 847 CZ ARG A 55 41.488 24.594 -11.681 1.00 13.03 C ATOM 848 NH1 ARG A 55 40.258 24.087 -11.677 1.00 74.42 N1+ ATOM 849 NH2 ARG A 55 42.282 24.397 -10.634 1.00 31.52 N ATOM 0 H ARG A 55 38.048 27.583 -17.017 1.00 12.20 H new ATOM 0 HA ARG A 55 38.286 28.452 -14.333 1.00 42.42 H new ATOM 0 HB2 ARG A 55 38.965 26.225 -15.260 1.00 23.13 H new ATOM 0 HB3 ARG A 55 40.266 27.008 -16.135 1.00 23.13 H new ATOM 0 HG2 ARG A 55 41.366 27.652 -14.071 1.00 12.33 H new ATOM 0 HG3 ARG A 55 39.995 27.130 -13.113 1.00 12.33 H new ATOM 0 HD2 ARG A 55 40.342 24.788 -13.993 1.00 14.04 H new ATOM 0 HD3 ARG A 55 41.788 25.349 -14.808 1.00 14.04 H new ATOM 0 HE ARG A 55 42.841 25.741 -12.655 1.00 32.42 H new ATOM 0 HH11 ARG A 55 39.638 24.247 -12.471 1.00 74.42 H new ATOM 0 HH12 ARG A 55 39.935 23.539 -10.880 1.00 74.42 H new ATOM 0 HH21 ARG A 55 43.221 24.795 -10.624 1.00 31.52 H new ATOM 0 HH22 ARG A 55 41.952 23.848 -9.840 1.00 31.52 H new ATOM 863 N LEU A 56 40.360 29.814 -16.514 1.00 75.42 N ATOM 864 CA LEU A 56 41.308 30.912 -16.675 1.00 60.21 C ATOM 865 C LEU A 56 40.645 32.159 -17.261 1.00 22.05 C ATOM 866 O LEU A 56 41.243 33.233 -17.280 1.00 73.52 O ATOM 867 CB LEU A 56 42.519 30.476 -17.514 1.00 50.30 C ATOM 868 CG LEU A 56 42.216 29.742 -18.825 1.00 25.35 C ATOM 869 CD1 LEU A 56 41.759 30.705 -19.908 1.00 0.31 C ATOM 870 CD2 LEU A 56 43.438 28.965 -19.287 1.00 31.13 C ATOM 0 H LEU A 56 40.176 29.280 -17.363 1.00 75.42 H new ATOM 0 HA LEU A 56 41.666 31.180 -15.681 1.00 60.21 H new ATOM 0 HB2 LEU A 56 43.108 31.362 -17.748 1.00 50.30 H new ATOM 0 HB3 LEU A 56 43.145 29.830 -16.899 1.00 50.30 H new ATOM 0 HG LEU A 56 41.401 29.043 -18.637 1.00 25.35 H new ATOM 0 HD11 LEU A 56 41.553 30.151 -20.824 1.00 0.31 H new ATOM 0 HD12 LEU A 56 40.854 31.217 -19.582 1.00 0.31 H new ATOM 0 HD13 LEU A 56 42.542 31.439 -20.096 1.00 0.31 H new ATOM 0 HD21 LEU A 56 43.210 28.448 -20.219 1.00 31.13 H new ATOM 0 HD22 LEU A 56 44.268 29.654 -19.448 1.00 31.13 H new ATOM 0 HD23 LEU A 56 43.714 28.235 -18.526 1.00 31.13 H new ATOM 882 N GLY A 57 39.416 32.012 -17.742 1.00 1.41 N ATOM 883 CA GLY A 57 38.661 33.166 -18.203 1.00 43.53 C ATOM 884 C GLY A 57 38.750 33.388 -19.702 1.00 60.04 C ATOM 885 O GLY A 57 38.679 34.526 -20.171 1.00 13.12 O ATOM 0 H GLY A 57 38.929 31.119 -17.822 1.00 1.41 H new ATOM 0 HA2 GLY A 57 37.615 33.041 -17.924 1.00 43.53 H new ATOM 0 HA3 GLY A 57 39.024 34.056 -17.690 1.00 43.53 H new ATOM 889 N GLN A 58 38.919 32.310 -20.450 1.00 5.23 N ATOM 890 CA GLN A 58 38.922 32.372 -21.905 1.00 75.33 C ATOM 891 C GLN A 58 38.410 31.048 -22.454 1.00 45.23 C ATOM 892 O GLN A 58 38.900 29.986 -22.077 1.00 23.22 O ATOM 893 CB GLN A 58 40.329 32.673 -22.425 1.00 11.42 C ATOM 894 CG GLN A 58 40.382 32.959 -23.915 1.00 44.44 C ATOM 895 CD GLN A 58 41.755 33.407 -24.377 1.00 61.21 C ATOM 896 OE1 GLN A 58 42.587 32.461 -24.784 1.00 43.03 O flip ATOM 897 NE2 GLN A 58 42.064 34.597 -24.376 1.00 21.11 N flip ATOM 0 H GLN A 58 39.057 31.373 -20.071 1.00 5.23 H new ATOM 0 HA GLN A 58 38.268 33.177 -22.241 1.00 75.33 H new ATOM 0 HB2 GLN A 58 40.730 33.531 -21.885 1.00 11.42 H new ATOM 0 HB3 GLN A 58 40.977 31.825 -22.204 1.00 11.42 H new ATOM 0 HG2 GLN A 58 40.094 32.062 -24.463 1.00 44.44 H new ATOM 0 HG3 GLN A 58 39.652 33.730 -24.159 1.00 44.44 H new ATOM 0 HE21 GLN A 58 41.395 35.297 -24.055 1.00 21.11 H new ATOM 0 HE22 GLN A 58 42.989 34.884 -24.696 1.00 21.11 H new ATOM 906 N SER A 59 37.439 31.109 -23.351 1.00 14.32 N ATOM 907 CA SER A 59 36.719 29.916 -23.761 1.00 21.14 C ATOM 908 C SER A 59 37.328 29.244 -24.999 1.00 30.15 C ATOM 909 O SER A 59 38.288 29.739 -25.589 1.00 21.13 O ATOM 910 CB SER A 59 35.247 30.253 -23.972 1.00 31.20 C ATOM 911 OG SER A 59 35.094 31.378 -24.821 1.00 0.21 O ATOM 0 H SER A 59 37.133 31.968 -23.807 1.00 14.32 H new ATOM 0 HA SER A 59 36.807 29.184 -22.958 1.00 21.14 H new ATOM 0 HB2 SER A 59 34.734 29.395 -24.405 1.00 31.20 H new ATOM 0 HB3 SER A 59 34.776 30.454 -23.010 1.00 31.20 H new ATOM 0 HG SER A 59 35.272 31.115 -25.748 1.00 0.21 H new ATOM 917 N MET A 60 36.727 28.124 -25.396 1.00 4.23 N ATOM 918 CA MET A 60 37.352 27.171 -26.314 1.00 54.32 C ATOM 919 C MET A 60 37.350 27.624 -27.782 1.00 62.24 C ATOM 920 O MET A 60 38.036 27.032 -28.614 1.00 52.30 O ATOM 921 CB MET A 60 36.723 25.778 -26.140 1.00 53.34 C ATOM 922 CG MET A 60 35.218 25.713 -26.368 1.00 74.42 C ATOM 923 SD MET A 60 34.751 25.835 -28.106 1.00 3.20 S ATOM 924 CE MET A 60 32.968 25.692 -27.996 1.00 21.54 C ATOM 0 H MET A 60 35.793 27.851 -25.091 1.00 4.23 H new ATOM 0 HA MET A 60 38.407 27.120 -26.043 1.00 54.32 H new ATOM 0 HB2 MET A 60 37.209 25.089 -26.830 1.00 53.34 H new ATOM 0 HB3 MET A 60 36.937 25.423 -25.132 1.00 53.34 H new ATOM 0 HG2 MET A 60 34.837 24.776 -25.962 1.00 74.42 H new ATOM 0 HG3 MET A 60 34.739 26.520 -25.813 1.00 74.42 H new ATOM 0 HE1 MET A 60 32.536 25.750 -28.995 1.00 21.54 H new ATOM 0 HE2 MET A 60 32.707 24.736 -27.543 1.00 21.54 H new ATOM 0 HE3 MET A 60 32.575 26.503 -27.383 1.00 21.54 H new ATOM 934 N GLU A 61 36.574 28.640 -28.125 1.00 23.42 N ATOM 935 CA GLU A 61 36.673 29.217 -29.461 1.00 74.42 C ATOM 936 C GLU A 61 37.870 30.166 -29.524 1.00 75.51 C ATOM 937 O GLU A 61 38.250 30.638 -30.594 1.00 20.42 O ATOM 938 CB GLU A 61 35.389 29.948 -29.883 1.00 42.44 C ATOM 939 CG GLU A 61 35.030 31.141 -29.018 1.00 61.05 C ATOM 940 CD GLU A 61 34.193 30.762 -27.817 1.00 11.12 C ATOM 941 OE1 GLU A 61 34.686 30.015 -26.955 1.00 22.14 O ATOM 942 OE2 GLU A 61 33.046 31.231 -27.716 1.00 34.12 O1- ATOM 0 H GLU A 61 35.883 29.076 -27.515 1.00 23.42 H new ATOM 0 HA GLU A 61 36.814 28.396 -30.164 1.00 74.42 H new ATOM 0 HB2 GLU A 61 35.499 30.283 -30.914 1.00 42.44 H new ATOM 0 HB3 GLU A 61 34.560 29.240 -29.865 1.00 42.44 H new ATOM 0 HG2 GLU A 61 35.945 31.627 -28.679 1.00 61.05 H new ATOM 0 HG3 GLU A 61 34.486 31.870 -29.619 1.00 61.05 H new ATOM 949 N ALA A 62 38.455 30.433 -28.358 1.00 52.12 N ATOM 950 CA ALA A 62 39.660 31.239 -28.250 1.00 65.21 C ATOM 951 C ALA A 62 40.849 30.353 -27.880 1.00 34.10 C ATOM 952 O ALA A 62 42.002 30.714 -28.105 1.00 64.00 O ATOM 953 CB ALA A 62 39.465 32.347 -27.229 1.00 61.24 C ATOM 0 H ALA A 62 38.103 30.094 -27.463 1.00 52.12 H new ATOM 0 HA ALA A 62 39.866 31.704 -29.214 1.00 65.21 H new ATOM 0 HB1 ALA A 62 40.376 32.942 -27.159 1.00 61.24 H new ATOM 0 HB2 ALA A 62 38.637 32.985 -27.538 1.00 61.24 H new ATOM 0 HB3 ALA A 62 39.242 31.910 -26.256 1.00 61.24 H new ATOM 959 N VAL A 63 40.557 29.201 -27.289 1.00 73.13 N ATOM 960 CA VAL A 63 41.542 28.135 -27.139 1.00 24.42 C ATOM 961 C VAL A 63 40.956 26.828 -27.667 1.00 55.34 C ATOM 962 O VAL A 63 40.168 26.163 -26.998 1.00 73.14 O ATOM 963 CB VAL A 63 42.018 27.957 -25.675 1.00 61.35 C ATOM 964 CG1 VAL A 63 43.002 29.054 -25.301 1.00 71.21 C ATOM 965 CG2 VAL A 63 40.847 27.953 -24.701 1.00 55.25 C ATOM 0 H VAL A 63 39.639 28.979 -26.903 1.00 73.13 H new ATOM 0 HA VAL A 63 42.421 28.416 -27.719 1.00 24.42 H new ATOM 0 HB VAL A 63 42.515 26.990 -25.606 1.00 61.35 H new ATOM 0 HG11 VAL A 63 43.327 28.915 -24.270 1.00 71.21 H new ATOM 0 HG12 VAL A 63 43.867 29.009 -25.963 1.00 71.21 H new ATOM 0 HG13 VAL A 63 42.519 30.026 -25.401 1.00 71.21 H new ATOM 0 HG21 VAL A 63 41.220 27.826 -23.685 1.00 55.25 H new ATOM 0 HG22 VAL A 63 40.309 28.898 -24.775 1.00 55.25 H new ATOM 0 HG23 VAL A 63 40.173 27.132 -24.946 1.00 55.25 H new ATOM 975 N ARG A 64 41.355 26.466 -28.875 1.00 62.12 N ATOM 976 CA ARG A 64 40.712 25.385 -29.598 1.00 22.32 C ATOM 977 C ARG A 64 41.269 24.034 -29.185 1.00 10.41 C ATOM 978 O ARG A 64 42.438 23.913 -28.828 1.00 51.14 O ATOM 979 CB ARG A 64 40.872 25.589 -31.104 1.00 54.44 C ATOM 980 CG ARG A 64 39.775 24.926 -31.919 1.00 13.01 C ATOM 981 CD ARG A 64 38.404 25.391 -31.453 1.00 42.55 C ATOM 982 NE ARG A 64 37.328 24.909 -32.311 1.00 31.25 N ATOM 983 CZ ARG A 64 36.052 25.274 -32.176 1.00 15.00 C ATOM 984 NH1 ARG A 64 35.684 26.059 -31.168 1.00 3.51 N1+ ATOM 985 NH2 ARG A 64 35.151 24.834 -33.042 1.00 70.22 N ATOM 0 H ARG A 64 42.125 26.908 -29.376 1.00 62.12 H new ATOM 0 HA ARG A 64 39.651 25.398 -29.348 1.00 22.32 H new ATOM 0 HB2 ARG A 64 40.881 26.657 -31.320 1.00 54.44 H new ATOM 0 HB3 ARG A 64 41.838 25.193 -31.417 1.00 54.44 H new ATOM 0 HG2 ARG A 64 39.906 25.163 -32.975 1.00 13.01 H new ATOM 0 HG3 ARG A 64 39.849 23.843 -31.824 1.00 13.01 H new ATOM 0 HD2 ARG A 64 38.234 25.045 -30.434 1.00 42.55 H new ATOM 0 HD3 ARG A 64 38.383 26.480 -31.427 1.00 42.55 H new ATOM 0 HE ARG A 64 37.565 24.255 -33.057 1.00 31.25 H new ATOM 0 HH11 ARG A 64 36.378 26.384 -30.495 1.00 3.51 H new ATOM 0 HH12 ARG A 64 34.708 26.336 -31.068 1.00 3.51 H new ATOM 0 HH21 ARG A 64 35.435 24.220 -33.806 1.00 70.22 H new ATOM 0 HH22 ARG A 64 34.174 25.109 -32.945 1.00 70.22 H new ATOM 999 N PHE A 65 40.418 23.027 -29.258 1.00 1.01 N ATOM 1000 CA PHE A 65 40.756 21.692 -28.804 1.00 71.14 C ATOM 1001 C PHE A 65 41.266 20.814 -29.943 1.00 51.04 C ATOM 1002 O PHE A 65 40.505 20.363 -30.799 1.00 10.13 O ATOM 1003 CB PHE A 65 39.541 21.053 -28.115 1.00 12.02 C ATOM 1004 CG PHE A 65 38.213 21.379 -28.755 1.00 4.35 C ATOM 1005 CD1 PHE A 65 37.610 22.614 -28.551 1.00 23.21 C ATOM 1006 CD2 PHE A 65 37.560 20.448 -29.543 1.00 74.42 C ATOM 1007 CE1 PHE A 65 36.387 22.909 -29.123 1.00 40.23 C ATOM 1008 CE2 PHE A 65 36.337 20.742 -30.119 1.00 32.51 C ATOM 1009 CZ PHE A 65 35.750 21.973 -29.908 1.00 22.21 C ATOM 0 H PHE A 65 39.474 23.112 -29.634 1.00 1.01 H new ATOM 0 HA PHE A 65 41.570 21.775 -28.083 1.00 71.14 H new ATOM 0 HB2 PHE A 65 39.671 19.971 -28.109 1.00 12.02 H new ATOM 0 HB3 PHE A 65 39.518 21.377 -27.075 1.00 12.02 H new ATOM 0 HD1 PHE A 65 38.103 23.353 -27.937 1.00 23.21 H new ATOM 0 HD2 PHE A 65 38.010 19.481 -29.710 1.00 74.42 H new ATOM 0 HE1 PHE A 65 35.931 23.873 -28.955 1.00 40.23 H new ATOM 0 HE2 PHE A 65 35.841 20.007 -30.735 1.00 32.51 H new ATOM 0 HZ PHE A 65 34.795 22.202 -30.357 1.00 22.21 H new ATOM 1019 N LEU A 66 42.576 20.610 -29.963 1.00 3.44 N ATOM 1020 CA LEU A 66 43.202 19.672 -30.886 1.00 54.44 C ATOM 1021 C LEU A 66 43.482 18.371 -30.155 1.00 3.34 C ATOM 1022 O LEU A 66 44.037 18.380 -29.065 1.00 63.15 O ATOM 1023 CB LEU A 66 44.513 20.239 -31.455 1.00 43.35 C ATOM 1024 CG LEU A 66 44.375 21.343 -32.514 1.00 33.23 C ATOM 1025 CD1 LEU A 66 43.770 22.608 -31.925 1.00 0.12 C ATOM 1026 CD2 LEU A 66 45.727 21.642 -33.144 1.00 53.02 C ATOM 0 H LEU A 66 43.232 21.087 -29.344 1.00 3.44 H new ATOM 0 HA LEU A 66 42.522 19.498 -31.720 1.00 54.44 H new ATOM 0 HB2 LEU A 66 45.104 20.631 -30.627 1.00 43.35 H new ATOM 0 HB3 LEU A 66 45.081 19.417 -31.890 1.00 43.35 H new ATOM 0 HG LEU A 66 43.697 20.982 -33.287 1.00 33.23 H new ATOM 0 HD11 LEU A 66 43.687 23.368 -32.702 1.00 0.12 H new ATOM 0 HD12 LEU A 66 42.780 22.387 -31.527 1.00 0.12 H new ATOM 0 HD13 LEU A 66 44.409 22.978 -31.123 1.00 0.12 H new ATOM 0 HD21 LEU A 66 45.614 22.426 -33.893 1.00 53.02 H new ATOM 0 HD22 LEU A 66 46.422 21.974 -32.373 1.00 53.02 H new ATOM 0 HD23 LEU A 66 46.115 20.741 -33.619 1.00 53.02 H new ATOM 1038 N TYR A 67 43.115 17.250 -30.746 1.00 31.41 N ATOM 1039 CA TYR A 67 43.258 15.979 -30.065 1.00 20.11 C ATOM 1040 C TYR A 67 44.454 15.209 -30.596 1.00 74.01 C ATOM 1041 O TYR A 67 44.453 14.744 -31.739 1.00 2.22 O ATOM 1042 CB TYR A 67 41.975 15.155 -30.183 1.00 43.11 C ATOM 1043 CG TYR A 67 40.813 15.739 -29.404 1.00 44.31 C ATOM 1044 CD1 TYR A 67 40.135 16.859 -29.867 1.00 53.11 C ATOM 1045 CD2 TYR A 67 40.398 15.170 -28.206 1.00 43.34 C ATOM 1046 CE1 TYR A 67 39.078 17.395 -29.161 1.00 20.14 C ATOM 1047 CE2 TYR A 67 39.338 15.703 -27.494 1.00 70.41 C ATOM 1048 CZ TYR A 67 38.682 16.816 -27.975 1.00 13.14 C ATOM 1049 OH TYR A 67 37.628 17.354 -27.269 1.00 73.41 O ATOM 0 H TYR A 67 42.720 17.193 -31.685 1.00 31.41 H new ATOM 0 HA TYR A 67 43.435 16.178 -29.008 1.00 20.11 H new ATOM 0 HB2 TYR A 67 41.696 15.078 -31.234 1.00 43.11 H new ATOM 0 HB3 TYR A 67 42.168 14.142 -29.829 1.00 43.11 H new ATOM 0 HD1 TYR A 67 40.440 17.318 -30.796 1.00 53.11 H new ATOM 0 HD2 TYR A 67 40.910 14.299 -27.825 1.00 43.34 H new ATOM 0 HE1 TYR A 67 38.562 18.266 -29.537 1.00 20.14 H new ATOM 0 HE2 TYR A 67 39.026 15.249 -26.565 1.00 70.41 H new ATOM 0 HH TYR A 67 37.476 16.827 -26.457 1.00 73.41 H new ATOM 1059 N ASP A 68 45.478 15.100 -29.749 1.00 41.34 N ATOM 1060 CA ASP A 68 46.756 14.482 -30.117 1.00 70.30 C ATOM 1061 C ASP A 68 47.323 15.147 -31.373 1.00 63.40 C ATOM 1062 O ASP A 68 47.919 14.503 -32.235 1.00 15.11 O ATOM 1063 CB ASP A 68 46.597 12.967 -30.314 1.00 75.51 C ATOM 1064 CG ASP A 68 47.932 12.246 -30.399 1.00 2.14 C ATOM 1065 OD1 ASP A 68 48.149 11.489 -31.370 1.00 32.21 O ATOM 1066 OD2 ASP A 68 48.775 12.430 -29.494 1.00 31.41 O1- ATOM 0 H ASP A 68 45.446 15.438 -28.787 1.00 41.34 H new ATOM 0 HA ASP A 68 47.462 14.634 -29.301 1.00 70.30 H new ATOM 0 HB2 ASP A 68 46.018 12.556 -29.487 1.00 75.51 H new ATOM 0 HB3 ASP A 68 46.029 12.780 -31.225 1.00 75.51 H new ATOM 1071 N GLY A 69 47.128 16.458 -31.461 1.00 73.33 N ATOM 1072 CA GLY A 69 47.643 17.215 -32.583 1.00 31.22 C ATOM 1073 C GLY A 69 46.598 17.475 -33.652 1.00 61.52 C ATOM 1074 O GLY A 69 46.735 18.411 -34.441 1.00 60.14 O ATOM 0 H GLY A 69 46.620 17.011 -30.771 1.00 73.33 H new ATOM 0 HA2 GLY A 69 48.032 18.168 -32.224 1.00 31.22 H new ATOM 0 HA3 GLY A 69 48.480 16.675 -33.025 1.00 31.22 H new ATOM 1078 N ASP A 70 45.544 16.668 -33.683 1.00 53.11 N ATOM 1079 CA ASP A 70 44.511 16.827 -34.699 1.00 72.13 C ATOM 1080 C ASP A 70 43.193 17.264 -34.069 1.00 44.24 C ATOM 1081 O ASP A 70 42.596 16.545 -33.272 1.00 64.30 O ATOM 1082 CB ASP A 70 44.328 15.523 -35.474 1.00 12.43 C ATOM 1083 CG ASP A 70 43.405 15.682 -36.664 1.00 51.11 C ATOM 1084 OD1 ASP A 70 43.455 16.741 -37.322 1.00 0.21 O ATOM 1085 OD2 ASP A 70 42.643 14.736 -36.961 1.00 51.24 O1- ATOM 0 H ASP A 70 45.383 15.906 -33.025 1.00 53.11 H new ATOM 0 HA ASP A 70 44.828 17.605 -35.393 1.00 72.13 H new ATOM 0 HB2 ASP A 70 45.300 15.168 -35.817 1.00 12.43 H new ATOM 0 HB3 ASP A 70 43.927 14.760 -34.806 1.00 12.43 H new ATOM 1090 N ARG A 71 42.757 18.456 -34.437 1.00 22.42 N ATOM 1091 CA ARG A 71 41.552 19.064 -33.880 1.00 4.53 C ATOM 1092 C ARG A 71 40.277 18.396 -34.388 1.00 73.24 C ATOM 1093 O ARG A 71 39.987 18.400 -35.583 1.00 53.50 O ATOM 1094 CB ARG A 71 41.528 20.570 -34.188 1.00 35.54 C ATOM 1095 CG ARG A 71 41.926 20.920 -35.614 1.00 31.51 C ATOM 1096 CD ARG A 71 42.046 22.425 -35.812 1.00 31.40 C ATOM 1097 NE ARG A 71 42.626 22.760 -37.114 1.00 41.13 N ATOM 1098 CZ ARG A 71 42.687 23.994 -37.620 1.00 30.34 C ATOM 1099 NH1 ARG A 71 42.229 25.027 -36.919 1.00 31.45 N1+ ATOM 1100 NH2 ARG A 71 43.228 24.197 -38.817 1.00 61.14 N ATOM 0 H ARG A 71 43.227 19.035 -35.133 1.00 22.42 H new ATOM 0 HA ARG A 71 41.582 18.916 -32.801 1.00 4.53 H new ATOM 0 HB2 ARG A 71 40.525 20.953 -33.998 1.00 35.54 H new ATOM 0 HB3 ARG A 71 42.200 21.081 -33.499 1.00 35.54 H new ATOM 0 HG2 ARG A 71 42.877 20.444 -35.853 1.00 31.51 H new ATOM 0 HG3 ARG A 71 41.186 20.520 -36.307 1.00 31.51 H new ATOM 0 HD2 ARG A 71 41.060 22.882 -35.725 1.00 31.40 H new ATOM 0 HD3 ARG A 71 42.664 22.847 -35.020 1.00 31.40 H new ATOM 0 HE ARG A 71 43.010 21.998 -37.673 1.00 41.13 H new ATOM 0 HH11 ARG A 71 41.830 24.878 -35.992 1.00 31.45 H new ATOM 0 HH12 ARG A 71 42.277 25.969 -37.308 1.00 31.45 H new ATOM 0 HH21 ARG A 71 43.597 23.410 -39.350 1.00 61.14 H new ATOM 0 HH22 ARG A 71 43.274 25.140 -39.203 1.00 61.14 H new ATOM 1114 N ILE A 72 39.523 17.827 -33.461 1.00 75.30 N ATOM 1115 CA ILE A 72 38.224 17.238 -33.758 1.00 23.12 C ATOM 1116 C ILE A 72 37.217 17.721 -32.721 1.00 21.23 C ATOM 1117 O ILE A 72 37.469 18.705 -32.036 1.00 74.34 O ATOM 1118 CB ILE A 72 38.266 15.689 -33.760 1.00 62.51 C ATOM 1119 CG1 ILE A 72 38.761 15.157 -32.411 1.00 50.23 C ATOM 1120 CG2 ILE A 72 39.147 15.179 -34.891 1.00 14.53 C ATOM 1121 CD1 ILE A 72 38.747 13.648 -32.308 1.00 62.02 C ATOM 0 H ILE A 72 39.793 17.760 -32.480 1.00 75.30 H new ATOM 0 HA ILE A 72 37.931 17.554 -34.759 1.00 23.12 H new ATOM 0 HB ILE A 72 37.252 15.321 -33.920 1.00 62.51 H new ATOM 0 HG12 ILE A 72 39.777 15.514 -32.241 1.00 50.23 H new ATOM 0 HG13 ILE A 72 38.140 15.572 -31.617 1.00 50.23 H new ATOM 0 HG21 ILE A 72 39.164 14.089 -34.876 1.00 14.53 H new ATOM 0 HG22 ILE A 72 38.749 15.523 -35.846 1.00 14.53 H new ATOM 0 HG23 ILE A 72 40.160 15.559 -34.763 1.00 14.53 H new ATOM 0 HD11 ILE A 72 39.111 13.347 -31.326 1.00 62.02 H new ATOM 0 HD12 ILE A 72 37.729 13.283 -32.446 1.00 62.02 H new ATOM 0 HD13 ILE A 72 39.391 13.225 -33.079 1.00 62.02 H new ATOM 1133 N HIS A 73 36.082 17.049 -32.607 1.00 53.04 N ATOM 1134 CA HIS A 73 35.106 17.393 -31.578 1.00 43.03 C ATOM 1135 C HIS A 73 35.067 16.323 -30.498 1.00 24.44 C ATOM 1136 O HIS A 73 35.090 15.130 -30.796 1.00 15.32 O ATOM 1137 CB HIS A 73 33.710 17.585 -32.177 1.00 55.44 C ATOM 1138 CG HIS A 73 33.335 19.023 -32.359 1.00 52.52 C ATOM 1139 ND1 HIS A 73 32.668 19.754 -31.398 1.00 23.24 N ATOM 1140 CD2 HIS A 73 33.527 19.868 -33.399 1.00 42.44 C ATOM 1141 CE1 HIS A 73 32.467 20.980 -31.837 1.00 61.52 C ATOM 1142 NE2 HIS A 73 32.981 21.077 -33.048 1.00 53.34 N ATOM 0 H HIS A 73 35.813 16.269 -33.207 1.00 53.04 H new ATOM 0 HA HIS A 73 35.417 18.337 -31.130 1.00 43.03 H new ATOM 0 HB2 HIS A 73 33.664 17.080 -33.142 1.00 55.44 H new ATOM 0 HB3 HIS A 73 32.976 17.105 -31.530 1.00 55.44 H new ATOM 0 HD1 HIS A 73 32.375 19.400 -30.487 1.00 23.24 H new ATOM 0 HD2 HIS A 73 34.019 19.634 -34.332 1.00 42.44 H new ATOM 0 HE1 HIS A 73 31.967 21.771 -31.297 1.00 61.52 H new ATOM 1151 N GLY A 74 34.990 16.758 -29.244 1.00 2.32 N ATOM 1152 CA GLY A 74 34.952 15.829 -28.129 1.00 30.33 C ATOM 1153 C GLY A 74 33.648 15.059 -28.067 1.00 45.23 C ATOM 1154 O GLY A 74 33.517 14.101 -27.301 1.00 50.31 O ATOM 0 H GLY A 74 34.953 17.742 -28.979 1.00 2.32 H new ATOM 0 HA2 GLY A 74 35.782 15.128 -28.215 1.00 30.33 H new ATOM 0 HA3 GLY A 74 35.093 16.377 -27.197 1.00 30.33 H new ATOM 1158 N ASP A 75 32.682 15.490 -28.873 1.00 32.14 N ATOM 1159 CA ASP A 75 31.403 14.799 -29.010 1.00 72.23 C ATOM 1160 C ASP A 75 31.619 13.358 -29.468 1.00 10.20 C ATOM 1161 O ASP A 75 30.837 12.465 -29.144 1.00 3.33 O ATOM 1162 CB ASP A 75 30.518 15.540 -30.018 1.00 71.41 C ATOM 1163 CG ASP A 75 29.134 14.932 -30.151 1.00 34.44 C ATOM 1164 OD1 ASP A 75 28.934 14.051 -31.008 1.00 15.34 O ATOM 1165 OD2 ASP A 75 28.233 15.339 -29.392 1.00 4.31 O1- ATOM 0 H ASP A 75 32.763 16.328 -29.449 1.00 32.14 H new ATOM 0 HA ASP A 75 30.908 14.784 -28.039 1.00 72.23 H new ATOM 0 HB2 ASP A 75 30.423 16.582 -29.713 1.00 71.41 H new ATOM 0 HB3 ASP A 75 31.006 15.536 -30.993 1.00 71.41 H new ATOM 1170 N ASN A 76 32.711 13.143 -30.197 1.00 64.25 N ATOM 1171 CA ASN A 76 33.038 11.828 -30.741 1.00 64.43 C ATOM 1172 C ASN A 76 33.387 10.843 -29.625 1.00 13.52 C ATOM 1173 O ASN A 76 33.365 9.636 -29.836 1.00 71.25 O ATOM 1174 CB ASN A 76 34.209 11.947 -31.724 1.00 33.10 C ATOM 1175 CG ASN A 76 34.420 10.692 -32.553 1.00 40.10 C ATOM 1176 OD1 ASN A 76 35.251 9.784 -32.064 1.00 32.24 O flip ATOM 1177 ND2 ASN A 76 33.848 10.548 -33.630 1.00 30.14 N flip ATOM 0 H ASN A 76 33.390 13.869 -30.426 1.00 64.25 H new ATOM 0 HA ASN A 76 32.163 11.447 -31.267 1.00 64.43 H new ATOM 0 HB2 ASN A 76 34.031 12.790 -32.391 1.00 33.10 H new ATOM 0 HB3 ASN A 76 35.121 12.166 -31.169 1.00 33.10 H new ATOM 0 HD21 ASN A 76 33.215 11.271 -33.972 1.00 30.14 H new ATOM 0 HD22 ASN A 76 34.006 9.705 -34.183 1.00 30.14 H new ATOM 1184 N THR A 77 33.698 11.386 -28.442 1.00 21.44 N ATOM 1185 CA THR A 77 34.046 10.611 -27.235 1.00 65.40 C ATOM 1186 C THR A 77 35.286 9.723 -27.423 1.00 53.35 C ATOM 1187 O THR A 77 35.657 9.356 -28.541 1.00 42.51 O ATOM 1188 CB THR A 77 32.858 9.765 -26.693 1.00 70.12 C ATOM 1189 OG1 THR A 77 32.386 8.826 -27.666 1.00 4.33 O ATOM 1190 CG2 THR A 77 31.715 10.665 -26.257 1.00 65.33 C ATOM 0 H THR A 77 33.716 12.394 -28.289 1.00 21.44 H new ATOM 0 HA THR A 77 34.289 11.365 -26.487 1.00 65.40 H new ATOM 0 HB THR A 77 33.228 9.207 -25.833 1.00 70.12 H new ATOM 0 HG1 THR A 77 33.000 8.809 -28.429 1.00 4.33 H new ATOM 0 HG21 THR A 77 30.894 10.054 -25.881 1.00 65.33 H new ATOM 0 HG22 THR A 77 32.059 11.335 -25.469 1.00 65.33 H new ATOM 0 HG23 THR A 77 31.370 11.253 -27.108 1.00 65.33 H new ATOM 1198 N PRO A 78 35.955 9.370 -26.315 1.00 63.14 N ATOM 1199 CA PRO A 78 37.188 8.582 -26.357 1.00 44.41 C ATOM 1200 C PRO A 78 36.934 7.121 -26.726 1.00 73.22 C ATOM 1201 O PRO A 78 37.639 6.542 -27.555 1.00 62.52 O ATOM 1202 CB PRO A 78 37.723 8.695 -24.930 1.00 13.24 C ATOM 1203 CG PRO A 78 36.521 8.924 -24.085 1.00 24.53 C ATOM 1204 CD PRO A 78 35.566 9.716 -24.931 1.00 62.11 C ATOM 0 HA PRO A 78 37.881 8.944 -27.116 1.00 44.41 H new ATOM 0 HB2 PRO A 78 38.248 7.787 -24.632 1.00 13.24 H new ATOM 0 HB3 PRO A 78 38.432 9.518 -24.838 1.00 13.24 H new ATOM 0 HG2 PRO A 78 36.076 7.979 -23.775 1.00 24.53 H new ATOM 0 HG3 PRO A 78 36.780 9.467 -23.176 1.00 24.53 H new ATOM 0 HD2 PRO A 78 34.530 9.445 -24.726 1.00 62.11 H new ATOM 0 HD3 PRO A 78 35.658 10.786 -24.745 1.00 62.11 H new ATOM 1212 N GLU A 79 35.895 6.548 -26.128 1.00 53.55 N ATOM 1213 CA GLU A 79 35.562 5.137 -26.305 1.00 13.34 C ATOM 1214 C GLU A 79 35.236 4.805 -27.760 1.00 42.02 C ATOM 1215 O GLU A 79 35.443 3.676 -28.211 1.00 71.44 O ATOM 1216 CB GLU A 79 34.376 4.772 -25.410 1.00 73.21 C ATOM 1217 CG GLU A 79 33.176 5.691 -25.587 1.00 74.52 C ATOM 1218 CD GLU A 79 32.005 5.298 -24.713 1.00 5.43 C ATOM 1219 OE1 GLU A 79 32.055 5.563 -23.497 1.00 63.15 O ATOM 1220 OE2 GLU A 79 31.024 4.730 -25.242 1.00 62.13 O1- ATOM 0 H GLU A 79 35.259 7.048 -25.507 1.00 53.55 H new ATOM 0 HA GLU A 79 36.436 4.551 -26.022 1.00 13.34 H new ATOM 0 HB2 GLU A 79 34.073 3.747 -25.622 1.00 73.21 H new ATOM 0 HB3 GLU A 79 34.695 4.801 -24.368 1.00 73.21 H new ATOM 0 HG2 GLU A 79 33.470 6.715 -25.355 1.00 74.52 H new ATOM 0 HG3 GLU A 79 32.865 5.678 -26.632 1.00 74.52 H new ATOM 1227 N GLN A 80 34.739 5.792 -28.489 1.00 45.33 N ATOM 1228 CA GLN A 80 34.302 5.585 -29.862 1.00 74.25 C ATOM 1229 C GLN A 80 35.472 5.659 -30.840 1.00 73.11 C ATOM 1230 O GLN A 80 35.501 4.933 -31.835 1.00 61.03 O ATOM 1231 CB GLN A 80 33.237 6.618 -30.220 1.00 42.54 C ATOM 1232 CG GLN A 80 32.660 6.463 -31.616 1.00 40.33 C ATOM 1233 CD GLN A 80 31.585 7.490 -31.904 1.00 61.53 C ATOM 1234 OE1 GLN A 80 30.880 7.938 -30.997 1.00 12.31 O ATOM 1235 NE2 GLN A 80 31.448 7.875 -33.162 1.00 14.43 N ATOM 0 H GLN A 80 34.628 6.748 -28.152 1.00 45.33 H new ATOM 0 HA GLN A 80 33.877 4.584 -29.941 1.00 74.25 H new ATOM 0 HB2 GLN A 80 32.426 6.552 -29.495 1.00 42.54 H new ATOM 0 HB3 GLN A 80 33.668 7.615 -30.126 1.00 42.54 H new ATOM 0 HG2 GLN A 80 33.459 6.559 -32.351 1.00 40.33 H new ATOM 0 HG3 GLN A 80 32.244 5.462 -31.727 1.00 40.33 H new ATOM 0 HE21 GLN A 80 32.051 7.481 -33.884 1.00 14.43 H new ATOM 0 HE22 GLN A 80 30.740 8.566 -33.410 1.00 14.43 H new ATOM 1244 N LEU A 81 36.443 6.516 -30.555 1.00 2.24 N ATOM 1245 CA LEU A 81 37.574 6.686 -31.457 1.00 73.11 C ATOM 1246 C LEU A 81 38.693 5.712 -31.106 1.00 31.23 C ATOM 1247 O LEU A 81 39.479 5.317 -31.964 1.00 13.32 O ATOM 1248 CB LEU A 81 38.092 8.125 -31.414 1.00 12.23 C ATOM 1249 CG LEU A 81 39.142 8.472 -32.477 1.00 34.10 C ATOM 1250 CD1 LEU A 81 38.596 8.218 -33.876 1.00 12.24 C ATOM 1251 CD2 LEU A 81 39.588 9.920 -32.340 1.00 63.31 C ATOM 0 H LEU A 81 36.471 7.098 -29.718 1.00 2.24 H new ATOM 0 HA LEU A 81 37.232 6.473 -32.470 1.00 73.11 H new ATOM 0 HB2 LEU A 81 37.246 8.803 -31.527 1.00 12.23 H new ATOM 0 HB3 LEU A 81 38.520 8.311 -30.429 1.00 12.23 H new ATOM 0 HG LEU A 81 40.007 7.827 -32.321 1.00 34.10 H new ATOM 0 HD11 LEU A 81 39.357 8.471 -34.615 1.00 12.24 H new ATOM 0 HD12 LEU A 81 38.328 7.166 -33.976 1.00 12.24 H new ATOM 0 HD13 LEU A 81 37.712 8.835 -34.039 1.00 12.24 H new ATOM 0 HD21 LEU A 81 40.333 10.145 -33.103 1.00 63.31 H new ATOM 0 HD22 LEU A 81 38.729 10.579 -32.466 1.00 63.31 H new ATOM 0 HD23 LEU A 81 40.023 10.075 -31.352 1.00 63.31 H new ATOM 1263 N GLY A 82 38.767 5.336 -29.837 1.00 62.20 N ATOM 1264 CA GLY A 82 39.766 4.382 -29.407 1.00 2.54 C ATOM 1265 C GLY A 82 40.868 5.050 -28.627 1.00 50.45 C ATOM 1266 O GLY A 82 41.609 4.394 -27.890 1.00 62.11 O ATOM 0 H GLY A 82 38.152 5.676 -29.098 1.00 62.20 H new ATOM 0 HA2 GLY A 82 39.297 3.615 -28.791 1.00 2.54 H new ATOM 0 HA3 GLY A 82 40.188 3.879 -30.277 1.00 2.54 H new ATOM 1270 N ILE A 83 40.971 6.359 -28.781 1.00 21.12 N ATOM 1271 CA ILE A 83 41.926 7.140 -28.019 1.00 62.23 C ATOM 1272 C ILE A 83 41.278 7.609 -26.722 1.00 53.32 C ATOM 1273 O ILE A 83 40.239 8.269 -26.738 1.00 34.30 O ATOM 1274 CB ILE A 83 42.458 8.347 -28.833 1.00 12.34 C ATOM 1275 CG1 ILE A 83 43.520 9.111 -28.029 1.00 11.32 C ATOM 1276 CG2 ILE A 83 41.323 9.275 -29.257 1.00 63.43 C ATOM 1277 CD1 ILE A 83 44.098 10.301 -28.762 1.00 21.45 C ATOM 0 H ILE A 83 40.402 6.903 -29.429 1.00 21.12 H new ATOM 0 HA ILE A 83 42.782 6.506 -27.788 1.00 62.23 H new ATOM 0 HB ILE A 83 42.923 7.962 -29.740 1.00 12.34 H new ATOM 0 HG12 ILE A 83 43.078 9.452 -27.093 1.00 11.32 H new ATOM 0 HG13 ILE A 83 44.328 8.427 -27.770 1.00 11.32 H new ATOM 0 HG21 ILE A 83 41.730 10.111 -29.826 1.00 63.43 H new ATOM 0 HG22 ILE A 83 40.615 8.725 -29.877 1.00 63.43 H new ATOM 0 HG23 ILE A 83 40.812 9.653 -28.371 1.00 63.43 H new ATOM 0 HD11 ILE A 83 44.841 10.791 -28.132 1.00 21.45 H new ATOM 0 HD12 ILE A 83 44.570 9.965 -29.685 1.00 21.45 H new ATOM 0 HD13 ILE A 83 43.301 11.006 -28.997 1.00 21.45 H new ATOM 1289 N GLU A 84 41.866 7.227 -25.604 1.00 64.03 N ATOM 1290 CA GLU A 84 41.302 7.543 -24.307 1.00 52.21 C ATOM 1291 C GLU A 84 42.391 7.542 -23.241 1.00 4.41 C ATOM 1292 O GLU A 84 43.560 7.728 -23.582 1.00 32.15 O ATOM 1293 CB GLU A 84 40.162 6.568 -23.982 1.00 52.31 C ATOM 1294 CG GLU A 84 40.454 5.112 -24.309 1.00 42.14 C ATOM 1295 CD GLU A 84 41.307 4.431 -23.269 1.00 24.00 C ATOM 1296 OE1 GLU A 84 40.902 4.415 -22.092 1.00 30.13 O ATOM 1297 OE2 GLU A 84 42.372 3.890 -23.628 1.00 13.42 O1- ATOM 0 H GLU A 84 42.736 6.696 -25.569 1.00 64.03 H new ATOM 0 HA GLU A 84 40.878 8.547 -24.326 1.00 52.21 H new ATOM 0 HB2 GLU A 84 39.927 6.647 -22.921 1.00 52.31 H new ATOM 0 HB3 GLU A 84 39.272 6.877 -24.530 1.00 52.31 H new ATOM 0 HG2 GLU A 84 39.512 4.572 -24.408 1.00 42.14 H new ATOM 0 HG3 GLU A 84 40.956 5.057 -25.275 1.00 42.14 H new ATOM 1304 N ASP A 85 41.992 7.283 -21.983 1.00 34.14 N ATOM 1305 CA ASP A 85 42.832 7.488 -20.785 1.00 62.20 C ATOM 1306 C ASP A 85 44.326 7.511 -21.093 1.00 24.11 C ATOM 1307 O ASP A 85 44.934 6.485 -21.414 1.00 63.13 O ATOM 1308 CB ASP A 85 42.542 6.397 -19.747 1.00 41.01 C ATOM 1309 CG ASP A 85 43.319 6.586 -18.457 1.00 33.33 C ATOM 1310 OD1 ASP A 85 42.820 7.289 -17.558 1.00 0.20 O ATOM 1311 OD2 ASP A 85 44.427 6.017 -18.328 1.00 54.52 O1- ATOM 0 H ASP A 85 41.064 6.920 -21.765 1.00 34.14 H new ATOM 0 HA ASP A 85 42.571 8.470 -20.390 1.00 62.20 H new ATOM 0 HB2 ASP A 85 41.475 6.389 -19.524 1.00 41.01 H new ATOM 0 HB3 ASP A 85 42.786 5.424 -20.173 1.00 41.01 H new ATOM 1316 N GLY A 86 44.900 8.695 -20.977 1.00 32.23 N ATOM 1317 CA GLY A 86 46.305 8.887 -21.264 1.00 42.34 C ATOM 1318 C GLY A 86 46.517 9.803 -22.452 1.00 60.32 C ATOM 1319 O GLY A 86 47.647 10.187 -22.759 1.00 42.55 O ATOM 0 H GLY A 86 44.410 9.540 -20.684 1.00 32.23 H new ATOM 0 HA2 GLY A 86 46.801 9.307 -20.389 1.00 42.34 H new ATOM 0 HA3 GLY A 86 46.771 7.922 -21.462 1.00 42.34 H new ATOM 1323 N ASP A 87 45.423 10.158 -23.113 1.00 21.12 N ATOM 1324 CA ASP A 87 45.465 11.030 -24.281 1.00 23.23 C ATOM 1325 C ASP A 87 45.646 12.486 -23.866 1.00 62.04 C ATOM 1326 O ASP A 87 45.579 12.823 -22.681 1.00 50.43 O ATOM 1327 CB ASP A 87 44.182 10.885 -25.102 1.00 41.43 C ATOM 1328 CG ASP A 87 42.958 11.388 -24.364 1.00 70.52 C ATOM 1329 OD1 ASP A 87 42.491 12.499 -24.681 1.00 13.22 O ATOM 1330 OD2 ASP A 87 42.473 10.669 -23.463 1.00 3.13 O1- ATOM 0 H ASP A 87 44.485 9.851 -22.856 1.00 21.12 H new ATOM 0 HA ASP A 87 46.317 10.732 -24.892 1.00 23.23 H new ATOM 0 HB2 ASP A 87 44.289 11.435 -26.037 1.00 41.43 H new ATOM 0 HB3 ASP A 87 44.039 9.837 -25.363 1.00 41.43 H new ATOM 1335 N VAL A 88 45.885 13.347 -24.846 1.00 40.21 N ATOM 1336 CA VAL A 88 46.094 14.759 -24.575 1.00 30.05 C ATOM 1337 C VAL A 88 45.349 15.635 -25.578 1.00 62.31 C ATOM 1338 O VAL A 88 45.031 15.214 -26.696 1.00 44.01 O ATOM 1339 CB VAL A 88 47.591 15.151 -24.592 1.00 1.54 C ATOM 1340 CG1 VAL A 88 48.392 14.344 -23.579 1.00 21.12 C ATOM 1341 CG2 VAL A 88 48.168 14.988 -25.982 1.00 55.10 C ATOM 0 H VAL A 88 45.938 13.092 -25.832 1.00 40.21 H new ATOM 0 HA VAL A 88 45.701 14.928 -23.573 1.00 30.05 H new ATOM 0 HB VAL A 88 47.662 16.201 -24.307 1.00 1.54 H new ATOM 0 HG11 VAL A 88 49.439 14.646 -23.619 1.00 21.12 H new ATOM 0 HG12 VAL A 88 48.000 14.525 -22.578 1.00 21.12 H new ATOM 0 HG13 VAL A 88 48.311 13.283 -23.814 1.00 21.12 H new ATOM 0 HG21 VAL A 88 49.221 15.268 -25.974 1.00 55.10 H new ATOM 0 HG22 VAL A 88 48.072 13.949 -26.296 1.00 55.10 H new ATOM 0 HG23 VAL A 88 47.627 15.629 -26.678 1.00 55.10 H new ATOM 1351 N ILE A 89 45.105 16.864 -25.170 1.00 14.43 N ATOM 1352 CA ILE A 89 44.395 17.833 -25.982 1.00 51.25 C ATOM 1353 C ILE A 89 45.216 19.110 -26.047 1.00 71.31 C ATOM 1354 O ILE A 89 45.597 19.656 -25.020 1.00 41.13 O ATOM 1355 CB ILE A 89 42.997 18.149 -25.398 1.00 64.41 C ATOM 1356 CG1 ILE A 89 42.174 16.863 -25.243 1.00 0.23 C ATOM 1357 CG2 ILE A 89 42.261 19.153 -26.279 1.00 64.41 C ATOM 1358 CD1 ILE A 89 40.829 17.072 -24.579 1.00 62.23 C ATOM 0 H ILE A 89 45.395 17.221 -24.260 1.00 14.43 H new ATOM 0 HA ILE A 89 44.254 17.414 -26.978 1.00 51.25 H new ATOM 0 HB ILE A 89 43.131 18.592 -24.411 1.00 64.41 H new ATOM 0 HG12 ILE A 89 42.018 16.422 -26.228 1.00 0.23 H new ATOM 0 HG13 ILE A 89 42.749 16.144 -24.659 1.00 0.23 H new ATOM 0 HG21 ILE A 89 41.280 19.362 -25.851 1.00 64.41 H new ATOM 0 HG22 ILE A 89 42.836 20.077 -26.336 1.00 64.41 H new ATOM 0 HG23 ILE A 89 42.140 18.739 -27.280 1.00 64.41 H new ATOM 0 HD11 ILE A 89 40.307 16.118 -24.505 1.00 62.23 H new ATOM 0 HD12 ILE A 89 40.976 17.483 -23.580 1.00 62.23 H new ATOM 0 HD13 ILE A 89 40.234 17.766 -25.173 1.00 62.23 H new ATOM 1370 N ASP A 90 45.497 19.572 -27.244 1.00 34.30 N ATOM 1371 CA ASP A 90 46.346 20.737 -27.428 1.00 21.13 C ATOM 1372 C ASP A 90 45.489 21.964 -27.660 1.00 54.30 C ATOM 1373 O ASP A 90 44.620 21.962 -28.536 1.00 1.13 O ATOM 1374 CB ASP A 90 47.270 20.527 -28.619 1.00 33.21 C ATOM 1375 CG ASP A 90 48.699 20.911 -28.321 1.00 41.43 C ATOM 1376 OD1 ASP A 90 49.093 22.057 -28.611 1.00 53.43 O ATOM 1377 OD2 ASP A 90 49.449 20.056 -27.811 1.00 21.31 O1- ATOM 0 H ASP A 90 45.151 19.160 -28.111 1.00 34.30 H new ATOM 0 HA ASP A 90 46.948 20.881 -26.531 1.00 21.13 H new ATOM 0 HB2 ASP A 90 47.235 19.480 -28.921 1.00 33.21 H new ATOM 0 HB3 ASP A 90 46.908 21.115 -29.463 1.00 33.21 H new ATOM 1382 N ALA A 91 45.713 22.997 -26.864 1.00 30.14 N ATOM 1383 CA ALA A 91 44.944 24.223 -26.990 1.00 22.54 C ATOM 1384 C ALA A 91 45.578 25.176 -27.999 1.00 62.41 C ATOM 1385 O ALA A 91 46.703 25.644 -27.814 1.00 34.40 O ATOM 1386 CB ALA A 91 44.792 24.901 -25.635 1.00 33.33 C ATOM 0 H ALA A 91 46.418 23.011 -26.127 1.00 30.14 H new ATOM 0 HA ALA A 91 43.953 23.958 -27.360 1.00 22.54 H new ATOM 0 HB1 ALA A 91 44.213 25.818 -25.750 1.00 33.33 H new ATOM 0 HB2 ALA A 91 44.276 24.230 -24.948 1.00 33.33 H new ATOM 0 HB3 ALA A 91 45.777 25.142 -25.236 1.00 33.33 H new ATOM 1392 N MET A 92 44.838 25.468 -29.058 1.00 14.35 N ATOM 1393 CA MET A 92 45.295 26.385 -30.097 1.00 13.21 C ATOM 1394 C MET A 92 44.635 27.748 -29.916 1.00 25.02 C ATOM 1395 O MET A 92 43.526 27.830 -29.400 1.00 71.52 O ATOM 1396 CB MET A 92 44.945 25.820 -31.476 1.00 64.53 C ATOM 1397 CG MET A 92 45.370 26.700 -32.641 1.00 30.25 C ATOM 1398 SD MET A 92 44.804 26.071 -34.235 1.00 45.45 S ATOM 1399 CE MET A 92 45.453 27.329 -35.333 1.00 51.31 C ATOM 0 H MET A 92 43.909 25.080 -29.223 1.00 14.35 H new ATOM 0 HA MET A 92 46.376 26.500 -30.019 1.00 13.21 H new ATOM 0 HB2 MET A 92 45.415 24.842 -31.585 1.00 64.53 H new ATOM 0 HB3 MET A 92 43.868 25.664 -31.529 1.00 64.53 H new ATOM 0 HG2 MET A 92 44.978 27.706 -32.492 1.00 30.25 H new ATOM 0 HG3 MET A 92 46.457 26.780 -32.652 1.00 30.25 H new ATOM 0 HE1 MET A 92 45.188 27.086 -36.362 1.00 51.31 H new ATOM 0 HE2 MET A 92 45.029 28.297 -35.068 1.00 51.31 H new ATOM 0 HE3 MET A 92 46.538 27.370 -35.238 1.00 51.31 H new ATOM 1409 N VAL A 93 45.309 28.814 -30.327 1.00 70.32 N ATOM 1410 CA VAL A 93 44.726 30.146 -30.246 1.00 3.20 C ATOM 1411 C VAL A 93 43.559 30.281 -31.227 1.00 75.10 C ATOM 1412 O VAL A 93 43.760 30.420 -32.438 1.00 71.31 O ATOM 1413 CB VAL A 93 45.767 31.252 -30.517 1.00 52.22 C ATOM 1414 CG1 VAL A 93 45.145 32.630 -30.339 1.00 3.43 C ATOM 1415 CG2 VAL A 93 46.972 31.081 -29.600 1.00 10.04 C ATOM 0 H VAL A 93 46.251 28.783 -30.716 1.00 70.32 H new ATOM 0 HA VAL A 93 44.361 30.274 -29.227 1.00 3.20 H new ATOM 0 HB VAL A 93 46.105 31.164 -31.550 1.00 52.22 H new ATOM 0 HG11 VAL A 93 45.895 33.396 -30.535 1.00 3.43 H new ATOM 0 HG12 VAL A 93 44.316 32.748 -31.037 1.00 3.43 H new ATOM 0 HG13 VAL A 93 44.778 32.734 -29.318 1.00 3.43 H new ATOM 0 HG21 VAL A 93 47.698 31.868 -29.803 1.00 10.04 H new ATOM 0 HG22 VAL A 93 46.650 31.143 -28.561 1.00 10.04 H new ATOM 0 HG23 VAL A 93 47.431 30.109 -29.780 1.00 10.04 H new ATOM 1425 N GLN A 94 42.348 30.211 -30.676 1.00 13.31 N ATOM 1426 CA GLN A 94 41.104 30.278 -31.439 1.00 14.42 C ATOM 1427 C GLN A 94 40.971 29.124 -32.427 1.00 61.22 C ATOM 1428 O GLN A 94 41.844 28.263 -32.529 1.00 71.22 O ATOM 1429 CB GLN A 94 40.967 31.612 -32.176 1.00 11.34 C ATOM 1430 CG GLN A 94 40.642 32.789 -31.273 1.00 20.20 C ATOM 1431 CD GLN A 94 40.205 34.011 -32.055 1.00 32.33 C ATOM 1432 OE1 GLN A 94 39.021 34.185 -32.342 1.00 74.30 O ATOM 1433 NE2 GLN A 94 41.153 34.867 -32.402 1.00 24.31 N ATOM 0 H GLN A 94 42.202 30.105 -29.672 1.00 13.31 H new ATOM 0 HA GLN A 94 40.296 30.195 -30.712 1.00 14.42 H new ATOM 0 HB2 GLN A 94 41.897 31.820 -32.705 1.00 11.34 H new ATOM 0 HB3 GLN A 94 40.185 31.520 -32.930 1.00 11.34 H new ATOM 0 HG2 GLN A 94 39.852 32.504 -30.578 1.00 20.20 H new ATOM 0 HG3 GLN A 94 41.518 33.038 -30.675 1.00 20.20 H new ATOM 0 HE21 GLN A 94 42.123 34.686 -32.144 1.00 24.31 H new ATOM 0 HE22 GLN A 94 40.913 35.708 -32.927 1.00 24.31 H new ATOM 1442 N GLN A 95 39.861 29.114 -33.148 1.00 34.52 N ATOM 1443 CA GLN A 95 39.606 28.098 -34.160 1.00 22.53 C ATOM 1444 C GLN A 95 40.106 28.572 -35.521 1.00 42.03 C ATOM 1445 O GLN A 95 39.463 28.341 -36.546 1.00 14.34 O ATOM 1446 CB GLN A 95 38.106 27.771 -34.215 1.00 2.31 C ATOM 1447 CG GLN A 95 37.214 28.982 -34.449 1.00 62.01 C ATOM 1448 CD GLN A 95 35.735 28.644 -34.372 1.00 41.23 C ATOM 1449 OE1 GLN A 95 35.320 27.528 -34.679 1.00 74.20 O ATOM 1450 NE2 GLN A 95 34.927 29.609 -33.964 1.00 40.12 N ATOM 0 H GLN A 95 39.116 29.804 -33.051 1.00 34.52 H new ATOM 0 HA GLN A 95 40.147 27.190 -33.894 1.00 22.53 H new ATOM 0 HB2 GLN A 95 37.932 27.046 -35.010 1.00 2.31 H new ATOM 0 HB3 GLN A 95 37.815 27.294 -33.279 1.00 2.31 H new ATOM 0 HG2 GLN A 95 37.447 29.748 -33.709 1.00 62.01 H new ATOM 0 HG3 GLN A 95 37.435 29.407 -35.428 1.00 62.01 H new ATOM 0 HE21 GLN A 95 35.308 30.523 -33.718 1.00 40.12 H new ATOM 0 HE22 GLN A 95 33.924 29.439 -33.896 1.00 40.12 H new ATOM 1459 N THR A 96 41.265 29.236 -35.511 1.00 34.55 N ATOM 1460 CA THR A 96 41.863 29.825 -36.712 1.00 5.31 C ATOM 1461 C THR A 96 41.126 31.102 -37.129 1.00 54.43 C ATOM 1462 O THR A 96 41.744 32.069 -37.570 1.00 61.12 O ATOM 1463 CB THR A 96 41.904 28.822 -37.892 1.00 14.02 C ATOM 1464 OG1 THR A 96 42.683 27.671 -37.526 1.00 42.43 O ATOM 1465 CG2 THR A 96 42.497 29.458 -39.142 1.00 34.20 C ATOM 0 H THR A 96 41.817 29.381 -34.666 1.00 34.55 H new ATOM 0 HA THR A 96 42.891 30.082 -36.457 1.00 5.31 H new ATOM 0 HB THR A 96 40.879 28.523 -38.113 1.00 14.02 H new ATOM 0 HG1 THR A 96 43.106 27.294 -38.326 1.00 42.43 H new ATOM 0 HG21 THR A 96 42.511 28.727 -39.950 1.00 34.20 H new ATOM 0 HG22 THR A 96 41.891 30.314 -39.437 1.00 34.20 H new ATOM 0 HG23 THR A 96 43.515 29.789 -38.934 1.00 34.20 H new ATOM 1473 N GLY A 97 39.810 31.102 -36.988 1.00 10.25 N ATOM 1474 CA GLY A 97 39.034 32.282 -37.289 1.00 53.25 C ATOM 1475 C GLY A 97 37.672 31.938 -37.844 1.00 21.24 C ATOM 1476 O GLY A 97 37.550 31.518 -38.996 1.00 2.44 O ATOM 0 H GLY A 97 39.265 30.301 -36.669 1.00 10.25 H new ATOM 0 HA2 GLY A 97 38.917 32.879 -36.385 1.00 53.25 H new ATOM 0 HA3 GLY A 97 39.574 32.897 -38.009 1.00 53.25 H new ATOM 1480 N GLY A 98 36.652 32.087 -37.022 1.00 22.14 N ATOM 1481 CA GLY A 98 35.304 31.847 -37.473 1.00 25.22 C ATOM 1482 C GLY A 98 34.352 31.675 -36.319 1.00 14.50 C ATOM 1483 O GLY A 98 33.326 30.988 -36.485 1.00 31.30 O ATOM 1484 OXT GLY A 98 34.631 32.222 -35.235 1.00 0.00 O1- ATOM 0 H GLY A 98 36.734 32.371 -36.046 1.00 22.14 H new ATOM 0 HA2 GLY A 98 34.975 32.679 -38.095 1.00 25.22 H new ATOM 0 HA3 GLY A 98 35.283 30.954 -38.098 1.00 25.22 H new TER 1488 GLY A 98