USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 810 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 116 SER OG : rot -77:sc= -0.906 USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= -0.855 USER MOD Set 2.1: A 111 MET CE :methyl -169:sc= -6.03 (180deg=-3.82) USER MOD Set 2.2: A 114 HIS : no HE2:sc= -10! C(o=-16!,f=-19!) USER MOD Set 3.1: A 23 GLN : amide:sc= -1.83 K(o=-7,f=-11!) USER MOD Set 3.2: A 105 MET CE :methyl -168:sc= -5.17! (180deg=-5.73!) USER MOD Set 4.1: A 65 THR OG1 : rot 180:sc= 0.368 USER MOD Set 4.2: A 66 ASN : amide:sc= -1.93 K(o=-1.6,f=-4.9!) USER MOD Set 5.1: A 51 SER OG : rot -53:sc= 0.161 USER MOD Set 5.2: A 52 HIS : no HD1:sc= -6.61! C(o=-6.4!,f=-8.4!) USER MOD Single : A 3 SER OG : rot 180:sc= -0.327 USER MOD Single : A 9 GLN : amide:sc= -3.3 X(o=-3.3,f=-3) USER MOD Single : A 12 THR OG1 : rot 13:sc= -1.46 USER MOD Single : A 14 ASN : amide:sc= -0.623 K(o=-0.62,f=-1.4) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.068) USER MOD Single : A 29 THR OG1 : rot -90:sc= -0.399 USER MOD Single : A 33 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.11) USER MOD Single : A 37 ASN : amide:sc= -0.0169 K(o=-0.017,f=-1.9!) USER MOD Single : A 41 MET CE :methyl 163:sc= -0.617 (180deg=-0.995) USER MOD Single : A 42 THR OG1 : rot 53:sc= 0.4 USER MOD Single : A 55 ASN :FLIP amide:sc= -8.19! C(o=-9.3!,f=-8.2!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -12:sc= 1.17 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 167:sc= -0.196 USER MOD Single : A 74 CYS SG : rot -54:sc= -0.204 USER MOD Single : A 89 CYS SG : rot 30:sc= -3.54 USER MOD Single : A 91 GLN : amide:sc= -0.451 K(o=-0.45,f=-3.2!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.247 K(o=-0.25,f=-1.4!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS :FLIP no HE2:sc= -8.26! C(o=-11!,f=-8.3!) USER MOD Single : A 110 HIS : no HD1:sc= -0.737 X(o=-0.74,f=-0.92) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-4.3!) USER MOD Single : A 133 MET CE :methyl -161:sc= -5.5! (180deg=-6.44!) USER MOD Single : A 135 SER OG : rot 180:sc= 0.00393 USER MOD Single : A 138 THR OG1 : rot 91:sc= 0.321 USER MOD Single : A 139 GLN : amide:sc= -2.37 X(o=-2.4,f=-1.9) USER MOD Single : A 141 MET CE :methyl 180:sc= -2.21 (180deg=-2.21) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 6.821 3.468 -15.587 1.00 1.94 N ATOM 2 CA SER A 3 6.550 4.672 -14.758 1.00 1.63 C ATOM 3 C SER A 3 5.984 4.287 -13.394 1.00 1.31 C ATOM 4 O SER A 3 5.656 3.126 -13.153 1.00 1.66 O ATOM 5 CB SER A 3 5.558 5.565 -15.505 1.00 1.81 C ATOM 6 OG SER A 3 5.195 6.690 -14.724 1.00 2.13 O ATOM 0 HA SER A 3 7.485 5.206 -14.588 1.00 1.63 H new ATOM 0 HB2 SER A 3 6.000 5.898 -16.444 1.00 1.81 H new ATOM 0 HB3 SER A 3 4.666 4.991 -15.758 1.00 1.81 H new ATOM 0 HG SER A 3 4.562 7.245 -15.225 1.00 2.13 H new ATOM 12 N VAL A 4 5.876 5.270 -12.506 1.00 1.30 N ATOM 13 CA VAL A 4 5.351 5.031 -11.168 1.00 1.06 C ATOM 14 C VAL A 4 3.855 5.327 -11.107 1.00 0.93 C ATOM 15 O VAL A 4 3.425 6.458 -11.333 1.00 1.44 O ATOM 16 CB VAL A 4 6.085 5.881 -10.107 1.00 1.68 C ATOM 17 CG1 VAL A 4 5.940 7.367 -10.402 1.00 1.82 C ATOM 18 CG2 VAL A 4 5.570 5.556 -8.712 1.00 2.29 C ATOM 0 H VAL A 4 6.144 6.237 -12.689 1.00 1.30 H new ATOM 0 HA VAL A 4 5.519 3.977 -10.946 1.00 1.06 H new ATOM 0 HB VAL A 4 7.146 5.633 -10.149 1.00 1.68 H new ATOM 0 HG11 VAL A 4 6.466 7.942 -9.640 1.00 1.82 H new ATOM 0 HG12 VAL A 4 6.366 7.587 -11.381 1.00 1.82 H new ATOM 0 HG13 VAL A 4 4.884 7.638 -10.397 1.00 1.82 H new ATOM 0 HG21 VAL A 4 6.099 6.164 -7.978 1.00 2.29 H new ATOM 0 HG22 VAL A 4 4.502 5.770 -8.659 1.00 2.29 H new ATOM 0 HG23 VAL A 4 5.740 4.501 -8.498 1.00 2.29 H new ATOM 22 N LEU A 5 3.068 4.299 -10.806 1.00 0.94 N ATOM 23 CA LEU A 5 1.621 4.446 -10.718 1.00 1.34 C ATOM 24 C LEU A 5 1.077 3.733 -9.484 1.00 1.09 C ATOM 25 O LEU A 5 1.569 2.672 -9.097 1.00 1.34 O ATOM 26 CB LEU A 5 0.954 3.894 -11.982 1.00 2.05 C ATOM 27 CG LEU A 5 0.517 4.953 -12.996 1.00 2.97 C ATOM 28 CD1 LEU A 5 0.080 4.298 -14.297 1.00 3.92 C ATOM 29 CD2 LEU A 5 -0.605 5.806 -12.423 1.00 3.33 C ATOM 0 H LEU A 5 3.409 3.356 -10.619 1.00 0.94 H new ATOM 0 HA LEU A 5 1.391 5.508 -10.631 1.00 1.34 H new ATOM 0 HB2 LEU A 5 1.646 3.208 -12.470 1.00 2.05 H new ATOM 0 HB3 LEU A 5 0.081 3.311 -11.689 1.00 2.05 H new ATOM 0 HG LEU A 5 1.368 5.600 -13.208 1.00 2.97 H new ATOM 0 HD11 LEU A 5 -0.227 5.067 -15.006 1.00 3.92 H new ATOM 0 HD12 LEU A 5 0.911 3.730 -14.715 1.00 3.92 H new ATOM 0 HD13 LEU A 5 -0.757 3.627 -14.103 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -0.904 6.554 -13.157 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -1.458 5.172 -12.183 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -0.257 6.304 -11.518 1.00 3.33 H new ATOM 35 N VAL A 6 0.058 4.324 -8.870 1.00 0.88 N ATOM 36 CA VAL A 6 -0.552 3.747 -7.680 1.00 0.75 C ATOM 37 C VAL A 6 -2.068 3.903 -7.711 1.00 0.75 C ATOM 38 O VAL A 6 -2.585 4.995 -7.952 1.00 1.03 O ATOM 39 CB VAL A 6 -0.005 4.401 -6.398 1.00 0.94 C ATOM 40 CG1 VAL A 6 1.487 4.144 -6.260 1.00 1.26 C ATOM 41 CG2 VAL A 6 -0.301 5.895 -6.389 1.00 1.02 C ATOM 0 H VAL A 6 -0.362 5.201 -9.177 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.299 2.687 -7.675 1.00 0.75 H new ATOM 0 HB VAL A 6 -0.507 3.951 -5.542 1.00 0.94 H new ATOM 0 HG11 VAL A 6 1.854 4.614 -5.348 1.00 1.26 H new ATOM 0 HG12 VAL A 6 1.668 3.070 -6.213 1.00 1.26 H new ATOM 0 HG13 VAL A 6 2.009 4.563 -7.120 1.00 1.26 H new ATOM 0 HG21 VAL A 6 0.094 6.339 -5.475 1.00 1.02 H new ATOM 0 HG22 VAL A 6 0.170 6.364 -7.253 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -1.379 6.053 -6.433 1.00 1.02 H new ATOM 45 N ASP A 7 -2.774 2.807 -7.464 1.00 0.72 N ATOM 46 CA ASP A 7 -4.232 2.822 -7.461 1.00 0.83 C ATOM 47 C ASP A 7 -4.774 2.512 -6.071 1.00 0.75 C ATOM 48 O ASP A 7 -4.707 1.374 -5.609 1.00 0.99 O ATOM 49 CB ASP A 7 -4.775 1.810 -8.472 1.00 1.02 C ATOM 50 CG ASP A 7 -6.285 1.860 -8.587 1.00 1.78 C ATOM 51 OD1 ASP A 7 -6.832 2.971 -8.748 1.00 2.33 O ATOM 52 OD2 ASP A 7 -6.921 0.787 -8.516 1.00 2.52 O ATOM 0 H ASP A 7 -2.361 1.896 -7.263 1.00 0.72 H new ATOM 0 HA ASP A 7 -4.562 3.821 -7.746 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -4.333 2.004 -9.449 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -4.469 0.806 -8.177 1.00 1.02 H new ATOM 57 N LEU A 8 -5.316 3.530 -5.408 1.00 0.63 N ATOM 58 CA LEU A 8 -5.873 3.356 -4.072 1.00 0.74 C ATOM 59 C LEU A 8 -7.397 3.393 -4.115 1.00 0.59 C ATOM 60 O LEU A 8 -7.984 4.070 -4.959 1.00 0.79 O ATOM 61 CB LEU A 8 -5.341 4.425 -3.106 1.00 1.20 C ATOM 62 CG LEU A 8 -5.207 5.842 -3.674 1.00 0.83 C ATOM 63 CD1 LEU A 8 -4.018 5.937 -4.620 1.00 1.78 C ATOM 64 CD2 LEU A 8 -6.492 6.269 -4.369 1.00 1.52 C ATOM 0 H LEU A 8 -5.381 4.480 -5.773 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.558 2.379 -3.705 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -6.002 4.464 -2.240 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -4.363 4.106 -2.746 1.00 1.20 H new ATOM 0 HG LEU A 8 -5.030 6.525 -2.843 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -3.944 6.952 -5.010 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -3.104 5.687 -4.082 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -4.154 5.240 -5.447 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -6.374 7.278 -4.764 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -6.709 5.582 -5.187 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -7.315 6.254 -3.654 1.00 1.52 H new ATOM 70 N GLN A 9 -8.036 2.660 -3.207 1.00 0.65 N ATOM 71 CA GLN A 9 -9.495 2.624 -3.163 1.00 0.80 C ATOM 72 C GLN A 9 -10.011 2.416 -1.742 1.00 0.79 C ATOM 73 O GLN A 9 -9.452 1.635 -0.969 1.00 0.81 O ATOM 74 CB GLN A 9 -10.028 1.518 -4.077 1.00 1.03 C ATOM 75 CG GLN A 9 -9.318 0.187 -3.901 1.00 1.27 C ATOM 76 CD GLN A 9 -9.293 -0.632 -5.176 1.00 1.82 C ATOM 77 OE1 GLN A 9 -10.332 -1.083 -5.659 1.00 2.23 O ATOM 78 NE2 GLN A 9 -8.102 -0.831 -5.728 1.00 2.59 N ATOM 0 H GLN A 9 -7.573 2.089 -2.500 1.00 0.65 H new ATOM 0 HA GLN A 9 -9.857 3.590 -3.515 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -11.092 1.381 -3.884 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -9.931 1.838 -5.115 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -8.296 0.366 -3.568 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -9.814 -0.384 -3.116 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -7.267 -0.439 -5.294 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -8.022 -1.376 -6.586 1.00 2.59 H new ATOM 85 N ILE A 10 -11.091 3.121 -1.412 1.00 0.83 N ATOM 86 CA ILE A 10 -11.704 3.024 -0.093 1.00 0.86 C ATOM 87 C ILE A 10 -13.064 2.334 -0.182 1.00 1.02 C ATOM 88 O ILE A 10 -13.924 2.735 -0.967 1.00 1.23 O ATOM 89 CB ILE A 10 -11.847 4.424 0.562 1.00 0.96 C ATOM 90 CG1 ILE A 10 -11.299 4.402 1.994 1.00 1.21 C ATOM 91 CG2 ILE A 10 -13.294 4.913 0.543 1.00 1.28 C ATOM 92 CD1 ILE A 10 -12.257 3.824 3.012 1.00 1.19 C ATOM 0 H ILE A 10 -11.560 3.769 -2.045 1.00 0.83 H new ATOM 0 HA ILE A 10 -11.049 2.422 0.537 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.259 5.128 -0.028 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -10.376 3.823 2.010 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -11.042 5.419 2.289 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -13.352 5.896 1.010 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -13.642 4.980 -0.488 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -13.922 4.212 1.093 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -11.795 3.844 3.999 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -13.172 4.416 3.028 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -12.495 2.795 2.744 1.00 1.19 H new ATOM 96 N ALA A 11 -13.247 1.290 0.617 1.00 0.97 N ATOM 97 CA ALA A 11 -14.498 0.541 0.620 1.00 1.15 C ATOM 98 C ALA A 11 -15.092 0.465 2.023 1.00 1.15 C ATOM 99 O ALA A 11 -15.107 -0.595 2.645 1.00 1.32 O ATOM 100 CB ALA A 11 -14.269 -0.854 0.063 1.00 1.30 C ATOM 0 H ALA A 11 -12.546 0.943 1.271 1.00 0.97 H new ATOM 0 HA ALA A 11 -15.212 1.065 -0.015 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -15.208 -1.407 0.069 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -13.897 -0.781 -0.959 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -13.537 -1.376 0.679 1.00 1.30 H new ATOM 106 N THR A 12 -15.581 1.597 2.515 1.00 1.10 N ATOM 107 CA THR A 12 -16.176 1.655 3.845 1.00 1.29 C ATOM 108 C THR A 12 -17.549 2.312 3.801 1.00 1.72 C ATOM 109 O THR A 12 -17.951 2.871 2.781 1.00 2.07 O ATOM 110 CB THR A 12 -15.262 2.422 4.802 1.00 1.15 C ATOM 111 OG1 THR A 12 -14.951 3.702 4.281 1.00 1.78 O ATOM 112 CG2 THR A 12 -13.955 1.711 5.083 1.00 1.29 C ATOM 0 H THR A 12 -15.577 2.486 2.014 1.00 1.10 H new ATOM 0 HA THR A 12 -16.295 0.633 4.206 1.00 1.29 H new ATOM 0 HB THR A 12 -15.822 2.500 5.734 1.00 1.15 H new ATOM 0 HG1 THR A 12 -15.545 3.902 3.528 1.00 1.78 H new ATOM 0 HG21 THR A 12 -13.355 2.310 5.768 1.00 1.29 H new ATOM 0 HG22 THR A 12 -14.159 0.739 5.533 1.00 1.29 H new ATOM 0 HG23 THR A 12 -13.409 1.571 4.150 1.00 1.29 H new ATOM 117 N GLU A 13 -18.263 2.243 4.919 1.00 2.10 N ATOM 118 CA GLU A 13 -19.591 2.835 5.017 1.00 2.62 C ATOM 119 C GLU A 13 -19.505 4.262 5.549 1.00 2.49 C ATOM 120 O GLU A 13 -20.334 5.111 5.223 1.00 2.85 O ATOM 121 CB GLU A 13 -20.483 1.991 5.929 1.00 3.24 C ATOM 122 CG GLU A 13 -21.923 1.893 5.451 1.00 3.89 C ATOM 123 CD GLU A 13 -22.466 0.480 5.518 1.00 4.72 C ATOM 124 OE1 GLU A 13 -21.687 -0.467 5.276 1.00 5.17 O ATOM 125 OE2 GLU A 13 -23.670 0.318 5.810 1.00 5.27 O ATOM 0 H GLU A 13 -17.943 1.782 5.771 1.00 2.10 H new ATOM 0 HA GLU A 13 -20.028 2.861 4.019 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -20.065 0.987 6.004 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -20.470 2.418 6.932 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -22.548 2.547 6.058 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -21.986 2.254 4.424 1.00 3.89 H new ATOM 132 N ASN A 14 -18.489 4.516 6.369 1.00 2.26 N ATOM 133 CA ASN A 14 -18.282 5.836 6.949 1.00 2.51 C ATOM 134 C ASN A 14 -16.901 5.932 7.589 1.00 1.99 C ATOM 135 O ASN A 14 -16.601 5.225 8.550 1.00 1.78 O ATOM 136 CB ASN A 14 -19.365 6.138 7.988 1.00 3.10 C ATOM 137 CG ASN A 14 -19.599 4.976 8.935 1.00 3.79 C ATOM 138 OD1 ASN A 14 -20.375 4.068 8.642 1.00 4.30 O ATOM 139 ND2 ASN A 14 -18.925 5.001 10.080 1.00 4.18 N ATOM 0 H ASN A 14 -17.795 3.822 6.646 1.00 2.26 H new ATOM 0 HA ASN A 14 -18.346 6.574 6.149 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -19.078 7.019 8.562 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -20.297 6.380 7.477 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -19.041 4.247 10.757 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -18.291 5.774 10.282 1.00 4.18 H new ATOM 144 N ILE A 15 -16.065 6.812 7.048 1.00 2.45 N ATOM 145 CA ILE A 15 -14.713 7.001 7.565 1.00 2.24 C ATOM 146 C ILE A 15 -14.448 8.469 7.884 1.00 1.60 C ATOM 147 O ILE A 15 -15.312 9.323 7.688 1.00 1.92 O ATOM 148 CB ILE A 15 -13.637 6.498 6.574 1.00 3.00 C ATOM 149 CG1 ILE A 15 -14.154 6.540 5.131 1.00 2.89 C ATOM 150 CG2 ILE A 15 -13.204 5.086 6.939 1.00 3.77 C ATOM 151 CD1 ILE A 15 -14.559 7.922 4.667 1.00 3.61 C ATOM 0 H ILE A 15 -16.299 7.406 6.252 1.00 2.45 H new ATOM 0 HA ILE A 15 -14.647 6.411 8.479 1.00 2.24 H new ATOM 0 HB ILE A 15 -12.775 7.161 6.644 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -13.380 6.156 4.466 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -15.010 5.872 5.042 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -12.447 4.744 6.234 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -12.790 5.082 7.947 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -14.065 4.419 6.898 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -14.914 7.871 3.638 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -15.356 8.302 5.307 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -13.700 8.591 4.722 1.00 3.61 H new ATOM 155 N GLU A 16 -13.247 8.756 8.376 1.00 1.45 N ATOM 156 CA GLU A 16 -12.869 10.121 8.720 1.00 1.67 C ATOM 157 C GLU A 16 -12.936 11.027 7.495 1.00 1.94 C ATOM 158 O GLU A 16 -13.230 12.217 7.607 1.00 2.67 O ATOM 159 CB GLU A 16 -11.460 10.149 9.315 1.00 2.11 C ATOM 160 CG GLU A 16 -11.312 11.112 10.482 1.00 3.11 C ATOM 161 CD GLU A 16 -12.134 10.698 11.687 1.00 3.84 C ATOM 162 OE1 GLU A 16 -13.368 10.891 11.658 1.00 4.13 O ATOM 163 OE2 GLU A 16 -11.544 10.181 12.659 1.00 4.53 O ATOM 0 H GLU A 16 -12.519 8.061 8.545 1.00 1.45 H new ATOM 0 HA GLU A 16 -13.575 10.491 9.463 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -11.195 9.145 9.647 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -10.750 10.425 8.535 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -10.262 11.173 10.767 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -11.615 12.110 10.165 1.00 3.11 H new ATOM 170 N GLY A 17 -12.663 10.455 6.326 1.00 1.95 N ATOM 171 CA GLY A 17 -12.700 11.227 5.099 1.00 2.86 C ATOM 172 C GLY A 17 -12.276 10.417 3.890 1.00 2.74 C ATOM 173 O GLY A 17 -11.239 9.755 3.911 1.00 3.16 O ATOM 0 H GLY A 17 -12.417 9.472 6.208 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -13.710 11.606 4.942 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -12.046 12.094 5.199 1.00 2.86 H new ATOM 177 N LEU A 18 -13.083 10.470 2.833 1.00 2.64 N ATOM 178 CA LEU A 18 -12.791 9.736 1.606 1.00 2.63 C ATOM 179 C LEU A 18 -11.381 10.046 1.102 1.00 2.01 C ATOM 180 O LEU A 18 -11.128 11.129 0.573 1.00 2.22 O ATOM 181 CB LEU A 18 -13.817 10.082 0.524 1.00 3.46 C ATOM 182 CG LEU A 18 -15.160 9.361 0.652 1.00 3.97 C ATOM 183 CD1 LEU A 18 -14.956 7.853 0.660 1.00 4.46 C ATOM 184 CD2 LEU A 18 -15.886 9.808 1.912 1.00 4.91 C ATOM 0 H LEU A 18 -13.945 11.014 2.802 1.00 2.64 H new ATOM 0 HA LEU A 18 -12.850 8.671 1.830 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -13.996 11.157 0.544 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -13.388 9.849 -0.450 1.00 3.46 H new ATOM 0 HG LEU A 18 -15.775 9.621 -0.210 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -15.922 7.356 0.752 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -14.476 7.546 -0.269 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -14.324 7.576 1.503 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -16.839 9.285 1.987 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -15.276 9.577 2.785 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -16.064 10.882 1.868 1.00 4.91 H new ATOM 190 N PRO A 19 -10.440 9.098 1.260 1.00 1.58 N ATOM 191 CA PRO A 19 -9.053 9.279 0.818 1.00 1.46 C ATOM 192 C PRO A 19 -8.953 9.542 -0.681 1.00 1.48 C ATOM 193 O PRO A 19 -9.134 8.635 -1.493 1.00 2.32 O ATOM 194 CB PRO A 19 -8.381 7.946 1.173 1.00 1.63 C ATOM 195 CG PRO A 19 -9.256 7.335 2.211 1.00 1.84 C ATOM 196 CD PRO A 19 -10.650 7.779 1.880 1.00 1.84 C ATOM 0 HA PRO A 19 -8.587 10.143 1.292 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -8.298 7.301 0.298 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -7.371 8.102 1.551 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -9.178 6.248 2.198 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -8.967 7.664 3.209 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -11.143 7.086 1.198 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -11.274 7.847 2.771 1.00 1.84 H new ATOM 204 N THR A 20 -8.663 10.788 -1.041 1.00 1.19 N ATOM 205 CA THR A 20 -8.538 11.170 -2.443 1.00 1.25 C ATOM 206 C THR A 20 -7.150 10.835 -2.978 1.00 1.21 C ATOM 207 O THR A 20 -6.140 11.166 -2.358 1.00 1.19 O ATOM 208 CB THR A 20 -8.816 12.664 -2.614 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.897 13.435 -1.862 1.00 1.78 O ATOM 210 CG2 THR A 20 -10.210 13.068 -2.188 1.00 2.03 C ATOM 0 H THR A 20 -8.510 11.551 -0.381 1.00 1.19 H new ATOM 0 HA THR A 20 -9.274 10.603 -3.014 1.00 1.25 H new ATOM 0 HB THR A 20 -8.711 12.855 -3.682 1.00 1.39 H new ATOM 0 HG1 THR A 20 -8.091 14.388 -1.986 1.00 1.78 H new ATOM 0 HG21 THR A 20 -10.339 14.140 -2.336 1.00 2.03 H new ATOM 0 HG22 THR A 20 -10.944 12.528 -2.786 1.00 2.03 H new ATOM 0 HG23 THR A 20 -10.353 12.827 -1.135 1.00 2.03 H new ATOM 215 N GLU A 21 -7.109 10.177 -4.134 1.00 1.30 N ATOM 216 CA GLU A 21 -5.843 9.794 -4.756 1.00 1.28 C ATOM 217 C GLU A 21 -4.883 10.977 -4.830 1.00 1.19 C ATOM 218 O GLU A 21 -3.693 10.836 -4.561 1.00 1.10 O ATOM 219 CB GLU A 21 -6.084 9.233 -6.159 1.00 1.44 C ATOM 220 CG GLU A 21 -7.111 10.012 -6.965 1.00 1.56 C ATOM 221 CD GLU A 21 -7.152 9.587 -8.420 1.00 1.94 C ATOM 222 OE1 GLU A 21 -7.774 8.545 -8.716 1.00 2.54 O ATOM 223 OE2 GLU A 21 -6.562 10.296 -9.263 1.00 2.04 O ATOM 0 H GLU A 21 -7.937 9.898 -4.659 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.389 9.022 -4.135 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.140 9.224 -6.703 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -6.413 8.197 -6.074 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -8.097 9.873 -6.522 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -6.882 11.076 -6.907 1.00 1.56 H new ATOM 230 N GLU A 22 -5.403 12.143 -5.195 1.00 1.24 N ATOM 231 CA GLU A 22 -4.581 13.344 -5.300 1.00 1.18 C ATOM 232 C GLU A 22 -3.717 13.529 -4.054 1.00 1.05 C ATOM 233 O GLU A 22 -2.497 13.656 -4.147 1.00 0.99 O ATOM 234 CB GLU A 22 -5.464 14.574 -5.511 1.00 1.26 C ATOM 235 CG GLU A 22 -5.697 14.912 -6.975 1.00 1.93 C ATOM 236 CD GLU A 22 -6.805 14.084 -7.596 1.00 2.47 C ATOM 237 OE1 GLU A 22 -7.974 14.518 -7.539 1.00 2.76 O ATOM 238 OE2 GLU A 22 -6.503 12.999 -8.138 1.00 3.23 O ATOM 0 H GLU A 22 -6.387 12.283 -5.423 1.00 1.24 H new ATOM 0 HA GLU A 22 -3.921 13.226 -6.160 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -6.427 14.407 -5.028 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -5.004 15.430 -5.018 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -5.945 15.970 -7.065 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -4.774 14.753 -7.532 1.00 1.93 H new ATOM 245 N GLN A 23 -4.360 13.538 -2.892 1.00 1.02 N ATOM 246 CA GLN A 23 -3.652 13.707 -1.628 1.00 0.93 C ATOM 247 C GLN A 23 -2.641 12.586 -1.408 1.00 0.82 C ATOM 248 O GLN A 23 -1.434 12.824 -1.381 1.00 0.77 O ATOM 249 CB GLN A 23 -4.646 13.747 -0.465 1.00 0.99 C ATOM 250 CG GLN A 23 -5.211 15.133 -0.197 1.00 0.97 C ATOM 251 CD GLN A 23 -4.585 15.793 1.014 1.00 1.14 C ATOM 252 OE1 GLN A 23 -4.249 15.129 1.995 1.00 2.08 O ATOM 253 NE2 GLN A 23 -4.423 17.110 0.953 1.00 1.09 N ATOM 0 H GLN A 23 -5.370 13.430 -2.799 1.00 1.02 H new ATOM 0 HA GLN A 23 -3.111 14.652 -1.671 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.468 13.063 -0.676 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -4.153 13.384 0.437 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -5.051 15.762 -1.073 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -6.289 15.060 -0.050 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -4.715 17.622 0.121 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -4.006 17.609 1.739 1.00 1.09 H new ATOM 260 N ILE A 24 -3.140 11.364 -1.248 1.00 0.83 N ATOM 261 CA ILE A 24 -2.279 10.205 -1.027 1.00 0.74 C ATOM 262 C ILE A 24 -1.206 10.091 -2.107 1.00 0.69 C ATOM 263 O ILE A 24 -0.010 10.110 -1.814 1.00 0.67 O ATOM 264 CB ILE A 24 -3.099 8.898 -0.992 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.177 8.978 0.091 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.191 7.699 -0.753 1.00 0.85 C ATOM 267 CD1 ILE A 24 -5.548 9.322 -0.446 1.00 1.43 C ATOM 0 H ILE A 24 -4.137 11.150 -1.267 1.00 0.83 H new ATOM 0 HA ILE A 24 -1.796 10.353 -0.061 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.585 8.770 -1.959 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -4.229 8.022 0.612 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -3.886 9.727 0.828 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.789 6.788 -0.732 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.457 7.633 -1.556 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.676 7.817 0.200 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -6.262 9.362 0.377 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -5.512 10.292 -0.942 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -5.860 8.561 -1.161 1.00 1.43 H new ATOM 271 N VAL A 25 -1.644 9.969 -3.355 1.00 0.77 N ATOM 272 CA VAL A 25 -0.727 9.844 -4.483 1.00 0.77 C ATOM 273 C VAL A 25 0.303 10.971 -4.490 1.00 0.74 C ATOM 274 O VAL A 25 1.505 10.717 -4.440 1.00 0.73 O ATOM 275 CB VAL A 25 -1.484 9.831 -5.828 1.00 0.91 C ATOM 276 CG1 VAL A 25 -0.518 9.667 -6.993 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.531 8.726 -5.843 1.00 1.45 C ATOM 0 H VAL A 25 -2.631 9.954 -3.612 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.209 8.893 -4.363 1.00 0.77 H new ATOM 0 HB VAL A 25 -1.992 10.789 -5.940 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.075 9.661 -7.930 1.00 0.85 H new ATOM 0 HG12 VAL A 25 0.190 10.495 -6.998 1.00 0.85 H new ATOM 0 HG13 VAL A 25 0.024 8.727 -6.887 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.054 8.733 -6.799 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.044 7.761 -5.703 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.246 8.891 -5.037 1.00 1.45 H new ATOM 281 N GLN A 26 -0.169 12.213 -4.552 1.00 0.76 N ATOM 282 CA GLN A 26 0.732 13.361 -4.564 1.00 0.77 C ATOM 283 C GLN A 26 1.613 13.369 -3.318 1.00 0.72 C ATOM 284 O GLN A 26 2.829 13.520 -3.402 1.00 0.71 O ATOM 285 CB GLN A 26 -0.060 14.666 -4.651 1.00 0.85 C ATOM 286 CG GLN A 26 0.785 15.866 -5.048 1.00 0.94 C ATOM 287 CD GLN A 26 0.833 16.075 -6.549 1.00 1.33 C ATOM 288 OE1 GLN A 26 1.907 16.164 -7.142 1.00 1.72 O ATOM 289 NE2 GLN A 26 -0.338 16.155 -7.172 1.00 2.19 N ATOM 0 H GLN A 26 -1.160 12.449 -4.594 1.00 0.76 H new ATOM 0 HA GLN A 26 1.371 13.278 -5.443 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -0.866 14.544 -5.375 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -0.526 14.864 -3.685 1.00 0.85 H new ATOM 0 HG2 GLN A 26 0.384 16.761 -4.573 1.00 0.94 H new ATOM 0 HG3 GLN A 26 1.799 15.732 -4.671 1.00 0.94 H new ATOM 0 HE21 GLN A 26 -1.205 16.076 -6.640 1.00 2.19 H new ATOM 0 HE22 GLN A 26 -0.370 16.296 -8.182 1.00 2.19 H new ATOM 296 N TRP A 27 0.993 13.200 -2.159 1.00 0.74 N ATOM 297 CA TRP A 27 1.727 13.187 -0.901 1.00 0.76 C ATOM 298 C TRP A 27 2.871 12.173 -0.946 1.00 0.69 C ATOM 299 O TRP A 27 4.043 12.536 -0.822 1.00 0.67 O ATOM 300 CB TRP A 27 0.769 12.863 0.252 1.00 0.92 C ATOM 301 CG TRP A 27 1.455 12.504 1.535 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.385 11.309 2.191 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.305 13.346 2.322 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.142 11.354 3.335 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.717 12.594 3.438 1.00 0.81 C ATOM 306 CE3 TRP A 27 2.760 14.661 2.190 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.562 13.113 4.415 1.00 0.79 C ATOM 308 CZ3 TRP A 27 3.599 15.175 3.162 1.00 0.98 C ATOM 309 CH2 TRP A 27 3.992 14.402 4.261 1.00 0.87 C ATOM 0 H TRP A 27 -0.014 13.070 -2.063 1.00 0.74 H new ATOM 0 HA TRP A 27 2.161 14.174 -0.740 1.00 0.76 H new ATOM 0 HB2 TRP A 27 0.123 13.724 0.426 1.00 0.92 H new ATOM 0 HB3 TRP A 27 0.125 12.036 -0.047 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.817 10.453 1.858 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.258 10.589 4.000 1.00 1.02 H new ATOM 0 HE3 TRP A 27 2.462 15.264 1.345 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 3.867 12.519 5.264 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 3.957 16.190 3.072 1.00 0.98 H new ATOM 0 HH2 TRP A 27 4.648 14.833 5.003 1.00 0.87 H new ATOM 320 N ALA A 28 2.526 10.904 -1.127 1.00 0.70 N ATOM 321 CA ALA A 28 3.527 9.844 -1.179 1.00 0.72 C ATOM 322 C ALA A 28 4.188 9.754 -2.552 1.00 0.68 C ATOM 323 O ALA A 28 5.329 10.189 -2.737 1.00 0.73 O ATOM 324 CB ALA A 28 2.897 8.511 -0.807 1.00 0.78 C ATOM 0 H ALA A 28 1.564 10.584 -1.240 1.00 0.70 H new ATOM 0 HA ALA A 28 4.306 10.088 -0.456 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.653 7.727 -0.849 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.491 8.570 0.203 1.00 0.78 H new ATOM 0 HB3 ALA A 28 2.095 8.280 -1.508 1.00 0.78 H new ATOM 330 N THR A 29 3.476 9.172 -3.508 1.00 0.63 N ATOM 331 CA THR A 29 4.005 9.008 -4.856 1.00 0.67 C ATOM 332 C THR A 29 4.476 10.335 -5.440 1.00 0.64 C ATOM 333 O THR A 29 5.359 10.361 -6.297 1.00 0.72 O ATOM 334 CB THR A 29 2.966 8.365 -5.772 1.00 0.69 C ATOM 335 OG1 THR A 29 1.872 7.865 -5.023 1.00 1.02 O ATOM 336 CG2 THR A 29 3.534 7.221 -6.581 1.00 0.74 C ATOM 0 H THR A 29 2.533 8.806 -3.376 1.00 0.63 H new ATOM 0 HA THR A 29 4.869 8.347 -4.788 1.00 0.67 H new ATOM 0 HB THR A 29 2.641 9.153 -6.451 1.00 0.69 H new ATOM 0 HG1 THR A 29 2.048 6.935 -4.768 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.753 6.800 -7.215 1.00 0.74 H new ATOM 0 HG22 THR A 29 4.350 7.586 -7.205 1.00 0.74 H new ATOM 0 HG23 THR A 29 3.909 6.450 -5.908 1.00 0.74 H new ATOM 341 N GLY A 30 3.898 11.437 -4.973 1.00 0.60 N ATOM 342 CA GLY A 30 4.307 12.732 -5.476 1.00 0.64 C ATOM 343 C GLY A 30 5.682 13.109 -4.975 1.00 0.66 C ATOM 344 O GLY A 30 6.491 13.663 -5.719 1.00 0.72 O ATOM 0 H GLY A 30 3.164 11.456 -4.265 1.00 0.60 H new ATOM 0 HA2 GLY A 30 4.307 12.717 -6.566 1.00 0.64 H new ATOM 0 HA3 GLY A 30 3.586 13.488 -5.167 1.00 0.64 H new ATOM 348 N ALA A 31 5.961 12.792 -3.714 1.00 0.65 N ATOM 349 CA ALA A 31 7.263 13.087 -3.133 1.00 0.73 C ATOM 350 C ALA A 31 8.372 12.421 -3.945 1.00 0.75 C ATOM 351 O ALA A 31 9.502 12.907 -3.988 1.00 0.83 O ATOM 352 CB ALA A 31 7.314 12.626 -1.684 1.00 0.82 C ATOM 0 H ALA A 31 5.306 12.334 -3.080 1.00 0.65 H new ATOM 0 HA ALA A 31 7.417 14.166 -3.158 1.00 0.73 H new ATOM 0 HB1 ALA A 31 8.294 12.854 -1.264 1.00 0.82 H new ATOM 0 HB2 ALA A 31 6.544 13.143 -1.111 1.00 0.82 H new ATOM 0 HB3 ALA A 31 7.140 11.551 -1.638 1.00 0.82 H new ATOM 358 N VAL A 32 8.038 11.302 -4.590 1.00 0.76 N ATOM 359 CA VAL A 32 9.006 10.569 -5.403 1.00 0.87 C ATOM 360 C VAL A 32 8.951 10.984 -6.875 1.00 0.91 C ATOM 361 O VAL A 32 9.864 10.682 -7.643 1.00 1.03 O ATOM 362 CB VAL A 32 8.791 9.046 -5.304 1.00 1.04 C ATOM 363 CG1 VAL A 32 7.436 8.652 -5.872 1.00 1.07 C ATOM 364 CG2 VAL A 32 9.912 8.301 -6.014 1.00 1.23 C ATOM 0 H VAL A 32 7.107 10.886 -4.565 1.00 0.76 H new ATOM 0 HA VAL A 32 9.988 10.821 -5.003 1.00 0.87 H new ATOM 0 HB VAL A 32 8.808 8.767 -4.250 1.00 1.04 H new ATOM 0 HG11 VAL A 32 7.307 7.573 -5.791 1.00 1.07 H new ATOM 0 HG12 VAL A 32 6.647 9.154 -5.313 1.00 1.07 H new ATOM 0 HG13 VAL A 32 7.381 8.946 -6.920 1.00 1.07 H new ATOM 0 HG21 VAL A 32 9.743 7.227 -5.934 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.930 8.588 -7.065 1.00 1.23 H new ATOM 0 HG23 VAL A 32 10.866 8.554 -5.552 1.00 1.23 H new ATOM 368 N GLN A 33 7.878 11.669 -7.265 1.00 0.90 N ATOM 369 CA GLN A 33 7.715 12.113 -8.650 1.00 1.04 C ATOM 370 C GLN A 33 8.986 12.776 -9.189 1.00 1.07 C ATOM 371 O GLN A 33 9.520 12.356 -10.217 1.00 1.22 O ATOM 372 CB GLN A 33 6.538 13.083 -8.764 1.00 1.22 C ATOM 373 CG GLN A 33 5.190 12.393 -8.878 1.00 1.37 C ATOM 374 CD GLN A 33 5.017 11.663 -10.195 1.00 1.19 C ATOM 375 OE1 GLN A 33 4.823 12.282 -11.241 1.00 1.67 O ATOM 376 NE2 GLN A 33 5.088 10.337 -10.151 1.00 1.88 N ATOM 0 H GLN A 33 7.111 11.928 -6.645 1.00 0.90 H new ATOM 0 HA GLN A 33 7.516 11.227 -9.253 1.00 1.04 H new ATOM 0 HB2 GLN A 33 6.530 13.736 -7.891 1.00 1.22 H new ATOM 0 HB3 GLN A 33 6.686 13.720 -9.636 1.00 1.22 H new ATOM 0 HG2 GLN A 33 5.078 11.685 -8.057 1.00 1.37 H new ATOM 0 HG3 GLN A 33 4.397 13.133 -8.770 1.00 1.37 H new ATOM 0 HE21 GLN A 33 5.250 9.864 -9.262 1.00 1.88 H new ATOM 0 HE22 GLN A 33 4.980 9.792 -11.006 1.00 1.88 H new ATOM 383 N PRO A 34 9.491 13.824 -8.510 1.00 1.04 N ATOM 384 CA PRO A 34 10.699 14.534 -8.940 1.00 1.23 C ATOM 385 C PRO A 34 11.853 13.587 -9.253 1.00 1.50 C ATOM 386 O PRO A 34 12.740 13.915 -10.041 1.00 1.84 O ATOM 387 CB PRO A 34 11.050 15.436 -7.743 1.00 1.29 C ATOM 388 CG PRO A 34 10.144 15.014 -6.633 1.00 1.15 C ATOM 389 CD PRO A 34 8.935 14.407 -7.283 1.00 0.96 C ATOM 0 HA PRO A 34 10.528 15.088 -9.863 1.00 1.23 H new ATOM 0 HB2 PRO A 34 12.096 15.319 -7.459 1.00 1.29 H new ATOM 0 HB3 PRO A 34 10.902 16.487 -7.990 1.00 1.29 H new ATOM 0 HG2 PRO A 34 10.638 14.293 -5.981 1.00 1.15 H new ATOM 0 HG3 PRO A 34 9.865 15.866 -6.013 1.00 1.15 H new ATOM 0 HD2 PRO A 34 8.470 13.651 -6.649 1.00 0.96 H new ATOM 0 HD3 PRO A 34 8.172 15.155 -7.499 1.00 0.96 H new ATOM 397 N GLU A 35 11.837 12.411 -8.636 1.00 1.43 N ATOM 398 CA GLU A 35 12.884 11.420 -8.856 1.00 1.69 C ATOM 399 C GLU A 35 12.638 10.649 -10.150 1.00 1.95 C ATOM 400 O GLU A 35 13.576 10.324 -10.877 1.00 2.55 O ATOM 401 CB GLU A 35 12.954 10.449 -7.675 1.00 1.58 C ATOM 402 CG GLU A 35 14.026 9.382 -7.827 1.00 2.20 C ATOM 403 CD GLU A 35 15.419 9.914 -7.556 1.00 2.95 C ATOM 404 OE1 GLU A 35 15.602 10.604 -6.531 1.00 3.53 O ATOM 405 OE2 GLU A 35 16.328 9.641 -8.368 1.00 3.47 O ATOM 0 H GLU A 35 11.112 12.121 -7.980 1.00 1.43 H new ATOM 0 HA GLU A 35 13.835 11.945 -8.941 1.00 1.69 H new ATOM 0 HB2 GLU A 35 13.142 11.014 -6.762 1.00 1.58 H new ATOM 0 HB3 GLU A 35 11.985 9.964 -7.556 1.00 1.58 H new ATOM 0 HG2 GLU A 35 13.815 8.560 -7.143 1.00 2.20 H new ATOM 0 HG3 GLU A 35 13.987 8.974 -8.837 1.00 2.20 H new ATOM 412 N GLY A 36 11.372 10.362 -10.429 1.00 1.77 N ATOM 413 CA GLY A 36 11.025 9.632 -11.635 1.00 2.19 C ATOM 414 C GLY A 36 11.465 8.183 -11.583 1.00 1.74 C ATOM 415 O GLY A 36 12.617 7.865 -11.878 1.00 1.77 O ATOM 0 H GLY A 36 10.579 10.621 -9.842 1.00 1.77 H new ATOM 0 HA2 GLY A 36 9.946 9.676 -11.784 1.00 2.19 H new ATOM 0 HA3 GLY A 36 11.486 10.118 -12.495 1.00 2.19 H new ATOM 419 N ASN A 37 10.545 7.300 -11.206 1.00 2.06 N ATOM 420 CA ASN A 37 10.844 5.876 -11.116 1.00 2.08 C ATOM 421 C ASN A 37 9.777 5.049 -11.826 1.00 1.73 C ATOM 422 O ASN A 37 8.800 5.589 -12.343 1.00 1.94 O ATOM 423 CB ASN A 37 10.948 5.447 -9.651 1.00 3.12 C ATOM 424 CG ASN A 37 12.258 5.869 -9.016 1.00 3.90 C ATOM 425 OD1 ASN A 37 12.316 6.854 -8.280 1.00 4.50 O ATOM 426 ND2 ASN A 37 13.319 5.123 -9.299 1.00 4.34 N ATOM 0 H ASN A 37 9.587 7.546 -10.958 1.00 2.06 H new ATOM 0 HA ASN A 37 11.801 5.700 -11.608 1.00 2.08 H new ATOM 0 HB2 ASN A 37 10.120 5.879 -9.089 1.00 3.12 H new ATOM 0 HB3 ASN A 37 10.848 4.364 -9.585 1.00 3.12 H new ATOM 0 HD21 ASN A 37 14.228 5.358 -8.901 1.00 4.34 H new ATOM 0 HD22 ASN A 37 13.225 4.315 -9.914 1.00 4.34 H new ATOM 431 N GLU A 38 9.971 3.734 -11.844 1.00 1.77 N ATOM 432 CA GLU A 38 9.026 2.829 -12.489 1.00 1.76 C ATOM 433 C GLU A 38 8.476 1.815 -11.492 1.00 1.90 C ATOM 434 O GLU A 38 9.226 1.019 -10.927 1.00 2.28 O ATOM 435 CB GLU A 38 9.700 2.101 -13.654 1.00 2.18 C ATOM 436 CG GLU A 38 10.226 3.034 -14.732 1.00 2.12 C ATOM 437 CD GLU A 38 11.178 2.342 -15.688 1.00 2.42 C ATOM 438 OE1 GLU A 38 12.373 2.213 -15.347 1.00 2.88 O ATOM 439 OE2 GLU A 38 10.729 1.929 -16.778 1.00 2.81 O ATOM 0 H GLU A 38 10.775 3.271 -11.419 1.00 1.77 H new ATOM 0 HA GLU A 38 8.196 3.423 -12.871 1.00 1.76 H new ATOM 0 HB2 GLU A 38 10.526 1.503 -13.269 1.00 2.18 H new ATOM 0 HB3 GLU A 38 8.986 1.409 -14.101 1.00 2.18 H new ATOM 0 HG2 GLU A 38 9.387 3.444 -15.294 1.00 2.12 H new ATOM 0 HG3 GLU A 38 10.736 3.875 -14.262 1.00 2.12 H new ATOM 446 N VAL A 39 7.164 1.850 -11.277 1.00 1.79 N ATOM 447 CA VAL A 39 6.517 0.932 -10.344 1.00 2.04 C ATOM 448 C VAL A 39 4.998 1.011 -10.451 1.00 1.58 C ATOM 449 O VAL A 39 4.449 1.980 -10.976 1.00 1.86 O ATOM 450 CB VAL A 39 6.927 1.216 -8.883 1.00 2.80 C ATOM 451 CG1 VAL A 39 8.164 0.417 -8.508 1.00 3.56 C ATOM 452 CG2 VAL A 39 7.159 2.706 -8.666 1.00 3.20 C ATOM 0 H VAL A 39 6.529 2.503 -11.735 1.00 1.79 H new ATOM 0 HA VAL A 39 6.850 -0.069 -10.619 1.00 2.04 H new ATOM 0 HB VAL A 39 6.110 0.903 -8.233 1.00 2.80 H new ATOM 0 HG11 VAL A 39 8.436 0.632 -7.475 1.00 3.56 H new ATOM 0 HG12 VAL A 39 7.956 -0.648 -8.615 1.00 3.56 H new ATOM 0 HG13 VAL A 39 8.989 0.693 -9.165 1.00 3.56 H new ATOM 0 HG21 VAL A 39 7.447 2.882 -7.630 1.00 3.20 H new ATOM 0 HG22 VAL A 39 7.954 3.050 -9.327 1.00 3.20 H new ATOM 0 HG23 VAL A 39 6.242 3.253 -8.886 1.00 3.20 H new ATOM 456 N GLU A 40 4.325 -0.018 -9.943 1.00 1.19 N ATOM 457 CA GLU A 40 2.868 -0.074 -9.971 1.00 0.87 C ATOM 458 C GLU A 40 2.329 -0.631 -8.656 1.00 0.72 C ATOM 459 O GLU A 40 2.599 -1.780 -8.303 1.00 0.71 O ATOM 460 CB GLU A 40 2.393 -0.940 -11.138 1.00 0.85 C ATOM 461 CG GLU A 40 1.127 -0.424 -11.803 1.00 0.98 C ATOM 462 CD GLU A 40 0.372 -1.510 -12.544 1.00 1.62 C ATOM 463 OE1 GLU A 40 0.671 -1.733 -13.736 1.00 2.29 O ATOM 464 OE2 GLU A 40 -0.516 -2.139 -11.932 1.00 2.10 O ATOM 0 H GLU A 40 4.768 -0.826 -9.506 1.00 1.19 H new ATOM 0 HA GLU A 40 2.488 0.939 -10.104 1.00 0.87 H new ATOM 0 HB2 GLU A 40 3.187 -0.998 -11.883 1.00 0.85 H new ATOM 0 HB3 GLU A 40 2.217 -1.954 -10.779 1.00 0.85 H new ATOM 0 HG2 GLU A 40 0.476 0.014 -11.046 1.00 0.98 H new ATOM 0 HG3 GLU A 40 1.386 0.373 -12.500 1.00 0.98 H new ATOM 471 N MET A 41 1.574 0.188 -7.929 1.00 0.77 N ATOM 472 CA MET A 41 1.010 -0.233 -6.649 1.00 0.73 C ATOM 473 C MET A 41 -0.516 -0.201 -6.672 1.00 0.68 C ATOM 474 O MET A 41 -1.121 0.648 -7.326 1.00 0.72 O ATOM 475 CB MET A 41 1.523 0.662 -5.515 1.00 0.88 C ATOM 476 CG MET A 41 2.950 1.154 -5.707 1.00 1.06 C ATOM 477 SD MET A 41 3.443 2.351 -4.453 1.00 1.42 S ATOM 478 CE MET A 41 5.227 2.271 -4.580 1.00 1.11 C ATOM 0 H MET A 41 1.339 1.142 -8.202 1.00 0.77 H new ATOM 0 HA MET A 41 1.331 -1.260 -6.475 1.00 0.73 H new ATOM 0 HB2 MET A 41 0.863 1.524 -5.420 1.00 0.88 H new ATOM 0 HB3 MET A 41 1.464 0.111 -4.577 1.00 0.88 H new ATOM 0 HG2 MET A 41 3.631 0.303 -5.680 1.00 1.06 H new ATOM 0 HG3 MET A 41 3.045 1.607 -6.694 1.00 1.06 H new ATOM 0 HE1 MET A 41 5.665 3.147 -4.102 1.00 1.11 H new ATOM 0 HE2 MET A 41 5.587 1.369 -4.085 1.00 1.11 H new ATOM 0 HE3 MET A 41 5.516 2.249 -5.631 1.00 1.11 H new ATOM 488 N THR A 42 -1.129 -1.127 -5.940 1.00 0.81 N ATOM 489 CA THR A 42 -2.585 -1.203 -5.858 1.00 0.79 C ATOM 490 C THR A 42 -3.035 -1.202 -4.399 1.00 0.77 C ATOM 491 O THR A 42 -3.031 -2.241 -3.740 1.00 1.11 O ATOM 492 CB THR A 42 -3.098 -2.461 -6.567 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.054 -3.099 -7.280 1.00 0.97 O ATOM 494 CG2 THR A 42 -4.216 -2.180 -7.547 1.00 1.61 C ATOM 0 H THR A 42 -0.640 -1.836 -5.394 1.00 0.81 H new ATOM 0 HA THR A 42 -3.004 -0.328 -6.355 1.00 0.79 H new ATOM 0 HB THR A 42 -3.482 -3.102 -5.773 1.00 0.95 H new ATOM 0 HG1 THR A 42 -1.297 -3.260 -6.678 1.00 0.97 H new ATOM 0 HG21 THR A 42 -4.533 -3.112 -8.014 1.00 1.61 H new ATOM 0 HG22 THR A 42 -5.059 -1.734 -7.019 1.00 1.61 H new ATOM 0 HG23 THR A 42 -3.863 -1.491 -8.314 1.00 1.61 H new ATOM 499 N VAL A 43 -3.407 -0.029 -3.896 1.00 0.65 N ATOM 500 CA VAL A 43 -3.841 0.104 -2.509 1.00 0.64 C ATOM 501 C VAL A 43 -5.346 -0.095 -2.356 1.00 0.58 C ATOM 502 O VAL A 43 -6.148 0.533 -3.049 1.00 0.71 O ATOM 503 CB VAL A 43 -3.461 1.480 -1.933 1.00 0.75 C ATOM 504 CG1 VAL A 43 -3.715 1.521 -0.434 1.00 1.53 C ATOM 505 CG2 VAL A 43 -2.008 1.808 -2.244 1.00 1.51 C ATOM 0 H VAL A 43 -3.417 0.842 -4.427 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.326 -0.680 -1.954 1.00 0.64 H new ATOM 0 HB VAL A 43 -4.089 2.236 -2.405 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -3.440 2.502 -0.045 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -4.771 1.336 -0.239 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -3.116 0.755 0.058 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -1.758 2.784 -1.829 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -1.361 1.050 -1.802 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -1.862 1.825 -3.324 1.00 1.51 H new ATOM 509 N ARG A 44 -5.720 -0.971 -1.430 1.00 0.55 N ATOM 510 CA ARG A 44 -7.122 -1.255 -1.164 1.00 0.54 C ATOM 511 C ARG A 44 -7.414 -1.164 0.329 1.00 0.57 C ATOM 512 O ARG A 44 -6.931 -1.978 1.119 1.00 0.69 O ATOM 513 CB ARG A 44 -7.498 -2.644 -1.685 1.00 0.61 C ATOM 514 CG ARG A 44 -7.735 -2.689 -3.186 1.00 1.19 C ATOM 515 CD ARG A 44 -9.079 -3.317 -3.525 1.00 1.98 C ATOM 516 NE ARG A 44 -10.153 -2.810 -2.674 1.00 2.48 N ATOM 517 CZ ARG A 44 -11.383 -3.318 -2.651 1.00 3.13 C ATOM 518 NH1 ARG A 44 -11.701 -4.342 -3.432 1.00 3.54 N ATOM 519 NH2 ARG A 44 -12.298 -2.798 -1.844 1.00 3.77 N ATOM 0 H ARG A 44 -5.067 -1.498 -0.850 1.00 0.55 H new ATOM 0 HA ARG A 44 -7.723 -0.510 -1.685 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -6.704 -3.345 -1.430 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -8.399 -2.983 -1.173 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -7.693 -1.678 -3.592 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -6.937 -3.257 -3.664 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -9.319 -3.117 -4.569 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -9.011 -4.399 -3.416 1.00 1.98 H new ATOM 0 HE ARG A 44 -9.948 -2.020 -2.062 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -11.001 -4.745 -4.055 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -12.645 -4.727 -3.409 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -12.059 -2.010 -1.242 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -13.241 -3.186 -1.825 1.00 3.77 H new ATOM 533 N ILE A 45 -8.205 -0.169 0.713 1.00 0.55 N ATOM 534 CA ILE A 45 -8.561 0.022 2.114 1.00 0.61 C ATOM 535 C ILE A 45 -10.040 -0.269 2.338 1.00 0.59 C ATOM 536 O ILE A 45 -10.901 0.557 2.039 1.00 0.60 O ATOM 537 CB ILE A 45 -8.239 1.451 2.608 1.00 0.71 C ATOM 538 CG1 ILE A 45 -8.285 2.450 1.448 1.00 0.59 C ATOM 539 CG2 ILE A 45 -6.876 1.479 3.285 1.00 0.94 C ATOM 540 CD1 ILE A 45 -7.851 3.850 1.829 1.00 0.63 C ATOM 0 H ILE A 45 -8.611 0.516 0.076 1.00 0.55 H new ATOM 0 HA ILE A 45 -7.958 -0.680 2.690 1.00 0.61 H new ATOM 0 HB ILE A 45 -8.996 1.743 3.336 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -7.645 2.088 0.643 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -9.301 2.489 1.055 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -6.661 2.491 3.628 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -6.879 0.800 4.137 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -6.110 1.167 2.575 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -7.910 4.500 0.956 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -8.505 4.233 2.612 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -6.824 3.826 2.194 1.00 0.63 H new ATOM 544 N VAL A 46 -10.322 -1.459 2.857 1.00 0.63 N ATOM 545 CA VAL A 46 -11.691 -1.880 3.118 1.00 0.63 C ATOM 546 C VAL A 46 -11.820 -2.470 4.519 1.00 0.64 C ATOM 547 O VAL A 46 -10.828 -2.882 5.121 1.00 0.68 O ATOM 548 CB VAL A 46 -12.153 -2.923 2.077 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.168 -4.081 2.014 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.555 -3.425 2.388 1.00 1.52 C ATOM 0 H VAL A 46 -9.616 -2.151 3.106 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.327 -0.998 3.044 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.182 -2.438 1.101 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.507 -4.808 1.276 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.185 -3.707 1.729 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.105 -4.559 2.992 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -13.854 -4.158 1.639 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.565 -3.890 3.374 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.253 -2.588 2.375 1.00 1.52 H new ATOM 554 N ASP A 47 -13.047 -2.512 5.034 1.00 0.66 N ATOM 555 CA ASP A 47 -13.302 -3.056 6.364 1.00 0.71 C ATOM 556 C ASP A 47 -12.603 -4.400 6.546 1.00 0.74 C ATOM 557 O ASP A 47 -12.112 -4.988 5.583 1.00 0.81 O ATOM 558 CB ASP A 47 -14.807 -3.214 6.594 1.00 0.75 C ATOM 559 CG ASP A 47 -15.482 -1.896 6.922 1.00 1.35 C ATOM 560 OD1 ASP A 47 -15.556 -1.549 8.120 1.00 1.88 O ATOM 561 OD2 ASP A 47 -15.937 -1.212 5.982 1.00 2.11 O ATOM 0 H ASP A 47 -13.879 -2.176 4.550 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.901 -2.357 7.098 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -15.265 -3.642 5.702 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.976 -3.918 7.409 1.00 0.75 H new ATOM 566 N GLU A 48 -12.554 -4.878 7.784 1.00 0.76 N ATOM 567 CA GLU A 48 -11.905 -6.149 8.081 1.00 0.82 C ATOM 568 C GLU A 48 -12.714 -7.323 7.531 1.00 0.79 C ATOM 569 O GLU A 48 -12.172 -8.196 6.855 1.00 0.83 O ATOM 570 CB GLU A 48 -11.692 -6.302 9.593 1.00 0.92 C ATOM 571 CG GLU A 48 -12.943 -6.700 10.362 1.00 1.39 C ATOM 572 CD GLU A 48 -12.726 -6.708 11.863 1.00 1.59 C ATOM 573 OE1 GLU A 48 -11.847 -7.460 12.332 1.00 2.30 O ATOM 574 OE2 GLU A 48 -13.437 -5.962 12.570 1.00 1.81 O ATOM 0 H GLU A 48 -12.954 -4.407 8.595 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.932 -6.154 7.590 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -10.919 -7.051 9.766 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -11.318 -5.360 9.993 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -13.750 -6.009 10.119 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -13.264 -7.691 10.040 1.00 1.39 H new ATOM 581 N ALA A 49 -14.010 -7.341 7.826 1.00 0.86 N ATOM 582 CA ALA A 49 -14.884 -8.412 7.361 1.00 0.89 C ATOM 583 C ALA A 49 -14.940 -8.464 5.838 1.00 0.83 C ATOM 584 O ALA A 49 -14.707 -9.511 5.232 1.00 0.80 O ATOM 585 CB ALA A 49 -16.282 -8.235 7.935 1.00 0.99 C ATOM 0 H ALA A 49 -14.478 -6.627 8.384 1.00 0.86 H new ATOM 0 HA ALA A 49 -14.471 -9.358 7.712 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -16.925 -9.040 7.581 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -16.234 -8.261 9.024 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.689 -7.277 7.612 1.00 0.99 H new ATOM 591 N GLU A 50 -15.256 -7.329 5.231 1.00 0.87 N ATOM 592 CA GLU A 50 -15.351 -7.234 3.778 1.00 0.88 C ATOM 593 C GLU A 50 -14.069 -7.718 3.106 1.00 0.84 C ATOM 594 O GLU A 50 -14.112 -8.509 2.164 1.00 0.85 O ATOM 595 CB GLU A 50 -15.649 -5.793 3.363 1.00 0.98 C ATOM 596 CG GLU A 50 -17.065 -5.349 3.686 1.00 1.52 C ATOM 597 CD GLU A 50 -17.375 -3.958 3.165 1.00 1.54 C ATOM 598 OE1 GLU A 50 -16.424 -3.231 2.809 1.00 1.85 O ATOM 599 OE2 GLU A 50 -18.569 -3.596 3.116 1.00 2.17 O ATOM 0 H GLU A 50 -15.452 -6.457 5.723 1.00 0.87 H new ATOM 0 HA GLU A 50 -16.167 -7.878 3.451 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -14.945 -5.127 3.862 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -15.480 -5.690 2.291 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -17.771 -6.059 3.256 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -17.210 -5.369 4.766 1.00 1.52 H new ATOM 606 N SER A 51 -12.929 -7.240 3.595 1.00 0.87 N ATOM 607 CA SER A 51 -11.638 -7.630 3.039 1.00 0.92 C ATOM 608 C SER A 51 -11.438 -9.137 3.154 1.00 0.84 C ATOM 609 O SER A 51 -11.201 -9.824 2.157 1.00 0.83 O ATOM 610 CB SER A 51 -10.505 -6.896 3.759 1.00 1.04 C ATOM 611 OG SER A 51 -10.260 -7.463 5.034 1.00 1.90 O ATOM 0 H SER A 51 -12.873 -6.583 4.373 1.00 0.87 H new ATOM 0 HA SER A 51 -11.623 -7.355 1.984 1.00 0.92 H new ATOM 0 HB2 SER A 51 -9.598 -6.941 3.157 1.00 1.04 H new ATOM 0 HB3 SER A 51 -10.762 -5.843 3.869 1.00 1.04 H new ATOM 0 HG SER A 51 -11.097 -7.498 5.543 1.00 1.90 H new ATOM 617 N HIS A 52 -11.543 -9.645 4.378 1.00 0.86 N ATOM 618 CA HIS A 52 -11.383 -11.072 4.632 1.00 0.86 C ATOM 619 C HIS A 52 -12.324 -11.877 3.749 1.00 0.83 C ATOM 620 O HIS A 52 -11.922 -12.863 3.133 1.00 0.90 O ATOM 621 CB HIS A 52 -11.639 -11.376 6.105 1.00 0.94 C ATOM 622 CG HIS A 52 -10.829 -10.516 7.020 1.00 0.99 C ATOM 623 ND1 HIS A 52 -11.251 -10.140 8.276 1.00 1.39 N ATOM 624 CD2 HIS A 52 -9.616 -9.943 6.845 1.00 1.61 C ATOM 625 CE1 HIS A 52 -10.332 -9.373 8.834 1.00 1.28 C ATOM 626 NE2 HIS A 52 -9.328 -9.237 7.986 1.00 1.39 N ATOM 0 H HIS A 52 -11.738 -9.089 5.210 1.00 0.86 H new ATOM 0 HA HIS A 52 -10.359 -11.358 4.391 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.698 -11.235 6.322 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -11.411 -12.424 6.301 1.00 0.94 H new ATOM 0 HD2 HIS A 52 -8.990 -10.026 5.969 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -10.391 -8.931 9.818 1.00 1.28 H new ATOM 0 HE2 HIS A 52 -8.479 -8.697 8.152 1.00 1.39 H new ATOM 635 N GLU A 53 -13.574 -11.438 3.673 1.00 0.86 N ATOM 636 CA GLU A 53 -14.557 -12.109 2.842 1.00 0.95 C ATOM 637 C GLU A 53 -14.154 -11.991 1.378 1.00 0.94 C ATOM 638 O GLU A 53 -14.246 -12.950 0.617 1.00 0.95 O ATOM 639 CB GLU A 53 -15.946 -11.505 3.057 1.00 1.10 C ATOM 640 CG GLU A 53 -16.623 -11.976 4.334 1.00 1.68 C ATOM 641 CD GLU A 53 -18.104 -12.237 4.148 1.00 2.38 C ATOM 642 OE1 GLU A 53 -18.454 -13.110 3.325 1.00 3.10 O ATOM 643 OE2 GLU A 53 -18.914 -11.568 4.822 1.00 2.71 O ATOM 0 H GLU A 53 -13.927 -10.624 4.176 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.595 -13.162 3.122 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -15.861 -10.419 3.080 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -16.579 -11.757 2.206 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -16.138 -12.888 4.682 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -16.485 -11.225 5.112 1.00 1.68 H new ATOM 650 N LEU A 54 -13.692 -10.802 0.999 1.00 0.95 N ATOM 651 CA LEU A 54 -13.259 -10.539 -0.368 1.00 1.00 C ATOM 652 C LEU A 54 -12.159 -11.508 -0.793 1.00 0.89 C ATOM 653 O LEU A 54 -12.187 -12.049 -1.899 1.00 0.93 O ATOM 654 CB LEU A 54 -12.757 -9.095 -0.489 1.00 1.06 C ATOM 655 CG LEU A 54 -12.079 -8.733 -1.817 1.00 1.15 C ATOM 656 CD1 LEU A 54 -10.647 -9.245 -1.849 1.00 1.23 C ATOM 657 CD2 LEU A 54 -12.873 -9.282 -2.995 1.00 1.24 C ATOM 0 H LEU A 54 -13.608 -10.001 1.625 1.00 0.95 H new ATOM 0 HA LEU A 54 -14.114 -10.683 -1.029 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -13.602 -8.423 -0.339 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -12.052 -8.906 0.321 1.00 1.06 H new ATOM 0 HG LEU A 54 -12.054 -7.646 -1.900 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -10.186 -8.977 -2.800 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -10.082 -8.796 -1.032 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -10.646 -10.329 -1.738 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -12.374 -9.014 -3.926 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -12.936 -10.367 -2.917 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -13.877 -8.858 -2.986 1.00 1.24 H new ATOM 663 N ASN A 55 -11.186 -11.716 0.087 1.00 0.78 N ATOM 664 CA ASN A 55 -10.075 -12.615 -0.214 1.00 0.71 C ATOM 665 C ASN A 55 -10.526 -14.070 -0.192 1.00 0.69 C ATOM 666 O ASN A 55 -10.269 -14.830 -1.126 1.00 0.74 O ATOM 667 CB ASN A 55 -8.923 -12.436 0.786 1.00 0.68 C ATOM 668 CG ASN A 55 -8.874 -11.056 1.418 1.00 1.33 C ATOM 669 OD1 ASN A 55 -8.827 -11.020 2.747 1.00 2.28 O flip ATOM 670 ND2 ASN A 55 -8.875 -10.039 0.725 1.00 1.42 N flip ATOM 0 H ASN A 55 -11.142 -11.279 1.008 1.00 0.78 H new ATOM 0 HA ASN A 55 -9.723 -12.359 -1.214 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -9.017 -13.184 1.573 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -7.978 -12.627 0.277 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -8.912 -10.115 -0.292 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -8.839 -9.121 1.167 1.00 1.42 H new ATOM 675 N LEU A 56 -11.175 -14.454 0.899 1.00 0.71 N ATOM 676 CA LEU A 56 -11.637 -15.824 1.079 1.00 0.79 C ATOM 677 C LEU A 56 -12.773 -16.197 0.127 1.00 0.87 C ATOM 678 O LEU A 56 -13.006 -17.380 -0.127 1.00 0.97 O ATOM 679 CB LEU A 56 -12.080 -16.043 2.524 1.00 0.84 C ATOM 680 CG LEU A 56 -10.958 -16.442 3.484 1.00 0.89 C ATOM 681 CD1 LEU A 56 -10.099 -15.236 3.835 1.00 0.91 C ATOM 682 CD2 LEU A 56 -11.536 -17.075 4.741 1.00 0.92 C ATOM 0 H LEU A 56 -11.394 -13.832 1.677 1.00 0.71 H new ATOM 0 HA LEU A 56 -10.794 -16.474 0.844 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.544 -15.127 2.890 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -12.847 -16.818 2.541 1.00 0.84 H new ATOM 0 HG LEU A 56 -10.324 -17.178 2.989 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -9.307 -15.540 4.519 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -9.657 -14.827 2.926 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -10.717 -14.475 4.312 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -10.725 -17.353 5.414 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -12.192 -16.361 5.239 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -12.105 -17.964 4.472 1.00 0.92 H new ATOM 688 N THR A 57 -13.490 -15.205 -0.389 1.00 0.93 N ATOM 689 CA THR A 57 -14.603 -15.479 -1.295 1.00 1.09 C ATOM 690 C THR A 57 -14.127 -15.692 -2.729 1.00 1.14 C ATOM 691 O THR A 57 -14.780 -16.391 -3.505 1.00 1.27 O ATOM 692 CB THR A 57 -15.634 -14.347 -1.251 1.00 1.23 C ATOM 693 OG1 THR A 57 -16.843 -14.750 -1.869 1.00 1.51 O ATOM 694 CG2 THR A 57 -15.174 -13.078 -1.937 1.00 1.45 C ATOM 0 H THR A 57 -13.325 -14.216 -0.200 1.00 0.93 H new ATOM 0 HA THR A 57 -15.073 -16.402 -0.954 1.00 1.09 H new ATOM 0 HB THR A 57 -15.776 -14.133 -0.192 1.00 1.23 H new ATOM 0 HG1 THR A 57 -17.491 -14.016 -1.831 1.00 1.51 H new ATOM 0 HG21 THR A 57 -15.956 -12.322 -1.865 1.00 1.45 H new ATOM 0 HG22 THR A 57 -14.269 -12.711 -1.454 1.00 1.45 H new ATOM 0 HG23 THR A 57 -14.966 -13.287 -2.986 1.00 1.45 H new ATOM 699 N TYR A 58 -13.007 -15.075 -3.092 1.00 1.08 N ATOM 700 CA TYR A 58 -12.491 -15.201 -4.452 1.00 1.17 C ATOM 701 C TYR A 58 -11.149 -15.937 -4.516 1.00 1.08 C ATOM 702 O TYR A 58 -10.611 -16.136 -5.605 1.00 1.19 O ATOM 703 CB TYR A 58 -12.376 -13.812 -5.100 1.00 1.25 C ATOM 704 CG TYR A 58 -11.000 -13.185 -5.009 1.00 1.20 C ATOM 705 CD1 TYR A 58 -10.307 -13.152 -3.806 1.00 1.67 C ATOM 706 CD2 TYR A 58 -10.397 -12.629 -6.130 1.00 1.25 C ATOM 707 CE1 TYR A 58 -9.050 -12.580 -3.724 1.00 2.23 C ATOM 708 CE2 TYR A 58 -9.142 -12.057 -6.056 1.00 1.55 C ATOM 709 CZ TYR A 58 -8.473 -12.034 -4.850 1.00 2.11 C ATOM 710 OH TYR A 58 -7.223 -11.465 -4.773 1.00 2.74 O ATOM 0 H TYR A 58 -12.445 -14.490 -2.473 1.00 1.08 H new ATOM 0 HA TYR A 58 -13.203 -15.809 -5.010 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -12.656 -13.891 -6.150 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -13.097 -13.145 -4.628 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -10.756 -13.579 -2.921 1.00 1.67 H new ATOM 0 HD2 TYR A 58 -10.918 -12.644 -7.076 1.00 1.25 H new ATOM 0 HE1 TYR A 58 -8.523 -12.561 -2.781 1.00 2.23 H new ATOM 0 HE2 TYR A 58 -8.687 -11.630 -6.938 1.00 1.55 H new ATOM 0 HH TYR A 58 -6.972 -11.354 -3.832 1.00 2.74 H new ATOM 720 N ARG A 59 -10.599 -16.338 -3.369 1.00 0.99 N ATOM 721 CA ARG A 59 -9.314 -17.038 -3.379 1.00 0.99 C ATOM 722 C ARG A 59 -9.105 -17.936 -2.156 1.00 0.90 C ATOM 723 O ARG A 59 -8.442 -18.970 -2.254 1.00 0.97 O ATOM 724 CB ARG A 59 -8.171 -16.025 -3.468 1.00 1.05 C ATOM 725 CG ARG A 59 -6.793 -16.664 -3.527 1.00 1.58 C ATOM 726 CD ARG A 59 -6.220 -16.884 -2.136 1.00 1.65 C ATOM 727 NE ARG A 59 -4.766 -17.026 -2.162 1.00 2.22 N ATOM 728 CZ ARG A 59 -4.136 -18.155 -2.479 1.00 2.71 C ATOM 729 NH1 ARG A 59 -4.827 -19.242 -2.799 1.00 3.08 N ATOM 730 NH2 ARG A 59 -2.810 -18.197 -2.476 1.00 3.32 N ATOM 0 H ARG A 59 -11.009 -16.196 -2.446 1.00 0.99 H new ATOM 0 HA ARG A 59 -9.320 -17.687 -4.254 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -8.313 -15.406 -4.354 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -8.217 -15.361 -2.605 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -6.855 -17.618 -4.051 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -6.120 -16.028 -4.102 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -6.491 -16.045 -1.495 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -6.664 -17.778 -1.697 1.00 1.65 H new ATOM 0 HE ARG A 59 -4.200 -16.212 -1.923 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -5.847 -19.215 -2.803 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -4.338 -20.104 -3.041 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -2.274 -17.365 -2.231 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -2.327 -19.062 -2.719 1.00 3.32 H new ATOM 744 N GLY A 60 -9.643 -17.541 -1.008 1.00 0.81 N ATOM 745 CA GLY A 60 -9.457 -18.338 0.196 1.00 0.80 C ATOM 746 C GLY A 60 -8.174 -17.965 0.916 1.00 0.78 C ATOM 747 O GLY A 60 -7.374 -18.831 1.268 1.00 0.88 O ATOM 0 H GLY A 60 -10.199 -16.694 -0.887 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -10.306 -18.193 0.864 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -9.434 -19.396 -0.066 1.00 0.80 H new ATOM 751 N LYS A 61 -7.974 -16.664 1.112 1.00 0.76 N ATOM 752 CA LYS A 61 -6.775 -16.152 1.767 1.00 0.90 C ATOM 753 C LYS A 61 -6.802 -16.376 3.280 1.00 0.95 C ATOM 754 O LYS A 61 -7.591 -17.171 3.790 1.00 1.42 O ATOM 755 CB LYS A 61 -6.599 -14.664 1.457 1.00 1.17 C ATOM 756 CG LYS A 61 -5.149 -14.265 1.219 1.00 1.31 C ATOM 757 CD LYS A 61 -4.911 -13.831 -0.218 1.00 1.00 C ATOM 758 CE LYS A 61 -3.508 -14.193 -0.681 1.00 1.42 C ATOM 759 NZ LYS A 61 -2.466 -13.401 0.030 1.00 2.13 N ATOM 0 H LYS A 61 -8.633 -15.941 0.824 1.00 0.76 H new ATOM 0 HA LYS A 61 -5.926 -16.709 1.371 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -7.187 -14.412 0.575 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -6.999 -14.078 2.285 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -4.881 -13.452 1.893 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -4.497 -15.105 1.458 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -5.645 -14.306 -0.869 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -5.058 -12.754 -0.304 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -3.333 -15.256 -0.513 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -3.425 -14.022 -1.754 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -1.524 -13.678 -0.314 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -2.617 -12.388 -0.150 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -2.528 -13.584 1.052 1.00 2.13 H new ATOM 773 N ASP A 62 -5.903 -15.679 3.976 1.00 1.17 N ATOM 774 CA ASP A 62 -5.760 -15.779 5.427 1.00 1.25 C ATOM 775 C ASP A 62 -7.090 -15.601 6.172 1.00 1.66 C ATOM 776 O ASP A 62 -8.162 -15.877 5.638 1.00 2.50 O ATOM 777 CB ASP A 62 -4.740 -14.742 5.910 1.00 1.84 C ATOM 778 CG ASP A 62 -3.793 -15.304 6.953 1.00 2.50 C ATOM 779 OD1 ASP A 62 -4.231 -16.157 7.754 1.00 2.95 O ATOM 780 OD2 ASP A 62 -2.614 -14.893 6.967 1.00 3.06 O ATOM 0 H ASP A 62 -5.250 -15.025 3.545 1.00 1.17 H new ATOM 0 HA ASP A 62 -5.410 -16.787 5.652 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -4.164 -14.379 5.059 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -5.268 -13.884 6.327 1.00 1.84 H new ATOM 785 N ARG A 63 -7.002 -15.151 7.425 1.00 1.71 N ATOM 786 CA ARG A 63 -8.174 -14.948 8.270 1.00 2.49 C ATOM 787 C ARG A 63 -8.127 -13.540 8.872 1.00 2.22 C ATOM 788 O ARG A 63 -7.371 -12.701 8.387 1.00 1.77 O ATOM 789 CB ARG A 63 -8.206 -16.018 9.368 1.00 3.33 C ATOM 790 CG ARG A 63 -7.489 -17.311 9.002 1.00 4.23 C ATOM 791 CD ARG A 63 -7.304 -18.211 10.216 1.00 4.88 C ATOM 792 NE ARG A 63 -5.894 -18.483 10.487 1.00 5.84 N ATOM 793 CZ ARG A 63 -5.180 -19.410 9.851 1.00 6.66 C ATOM 794 NH1 ARG A 63 -5.738 -20.149 8.899 1.00 6.76 N ATOM 795 NH2 ARG A 63 -3.906 -19.597 10.164 1.00 7.66 N ATOM 0 H ARG A 63 -6.119 -14.919 7.879 1.00 1.71 H new ATOM 0 HA ARG A 63 -9.084 -15.040 7.677 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -7.754 -15.609 10.272 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -9.245 -16.247 9.606 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -8.059 -17.841 8.239 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -6.516 -17.078 8.569 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -7.756 -17.740 11.089 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -7.830 -19.152 10.053 1.00 4.88 H new ATOM 0 HE ARG A 63 -5.429 -17.930 11.207 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -6.718 -20.008 8.652 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -5.187 -20.858 8.415 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -3.471 -19.031 10.893 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -3.360 -20.307 9.676 1.00 7.66 H new ATOM 809 N PRO A 64 -8.919 -13.239 9.931 1.00 3.04 N ATOM 810 CA PRO A 64 -8.920 -11.910 10.555 1.00 3.30 C ATOM 811 C PRO A 64 -7.516 -11.328 10.692 1.00 2.79 C ATOM 812 O PRO A 64 -6.829 -11.548 11.690 1.00 3.00 O ATOM 813 CB PRO A 64 -9.541 -12.180 11.919 1.00 4.45 C ATOM 814 CG PRO A 64 -10.519 -13.268 11.649 1.00 4.81 C ATOM 815 CD PRO A 64 -9.874 -14.148 10.608 1.00 4.12 C ATOM 0 HA PRO A 64 -9.461 -11.171 9.964 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -8.791 -12.487 12.647 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -10.030 -11.292 12.320 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -10.738 -13.831 12.556 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -11.465 -12.864 11.288 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -9.366 -14.999 11.061 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -10.609 -14.550 9.911 1.00 4.12 H new ATOM 823 N THR A 65 -7.095 -10.602 9.662 1.00 2.27 N ATOM 824 CA THR A 65 -5.771 -9.997 9.626 1.00 2.01 C ATOM 825 C THR A 65 -5.823 -8.499 9.927 1.00 1.59 C ATOM 826 O THR A 65 -6.846 -7.972 10.365 1.00 1.81 O ATOM 827 CB THR A 65 -5.141 -10.227 8.248 1.00 2.13 C ATOM 828 OG1 THR A 65 -3.759 -9.922 8.269 1.00 2.47 O ATOM 829 CG2 THR A 65 -5.779 -9.399 7.151 1.00 2.82 C ATOM 0 H THR A 65 -7.660 -10.418 8.833 1.00 2.27 H new ATOM 0 HA THR A 65 -5.164 -10.469 10.399 1.00 2.01 H new ATOM 0 HB THR A 65 -5.308 -11.282 8.028 1.00 2.13 H new ATOM 0 HG1 THR A 65 -3.376 -10.077 7.380 1.00 2.47 H new ATOM 0 HG21 THR A 65 -5.286 -9.610 6.202 1.00 2.82 H new ATOM 0 HG22 THR A 65 -6.837 -9.650 7.074 1.00 2.82 H new ATOM 0 HG23 THR A 65 -5.674 -8.340 7.387 1.00 2.82 H new ATOM 834 N ASN A 66 -4.704 -7.826 9.680 1.00 1.36 N ATOM 835 CA ASN A 66 -4.586 -6.389 9.907 1.00 1.09 C ATOM 836 C ASN A 66 -4.003 -5.696 8.679 1.00 0.83 C ATOM 837 O ASN A 66 -4.356 -4.558 8.369 1.00 1.09 O ATOM 838 CB ASN A 66 -3.704 -6.120 11.127 1.00 1.37 C ATOM 839 CG ASN A 66 -2.304 -6.676 10.961 1.00 1.54 C ATOM 840 OD1 ASN A 66 -2.122 -7.810 10.517 1.00 2.36 O ATOM 841 ND2 ASN A 66 -1.305 -5.879 11.317 1.00 1.35 N ATOM 0 H ASN A 66 -3.855 -8.260 9.318 1.00 1.36 H new ATOM 0 HA ASN A 66 -5.582 -5.987 10.091 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -3.647 -5.045 11.301 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -4.165 -6.562 12.010 1.00 1.37 H new ATOM 0 HD21 ASN A 66 -0.341 -6.199 11.227 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -1.501 -4.946 11.680 1.00 1.35 H new ATOM 846 N VAL A 67 -3.109 -6.392 7.982 1.00 0.71 N ATOM 847 CA VAL A 67 -2.477 -5.847 6.787 1.00 0.79 C ATOM 848 C VAL A 67 -2.280 -6.929 5.730 1.00 0.79 C ATOM 849 O VAL A 67 -1.169 -7.422 5.530 1.00 0.81 O ATOM 850 CB VAL A 67 -1.116 -5.207 7.113 1.00 1.12 C ATOM 851 CG1 VAL A 67 -0.595 -4.422 5.919 1.00 1.59 C ATOM 852 CG2 VAL A 67 -1.225 -4.315 8.342 1.00 1.51 C ATOM 0 H VAL A 67 -2.807 -7.335 8.225 1.00 0.71 H new ATOM 0 HA VAL A 67 -3.145 -5.079 6.397 1.00 0.79 H new ATOM 0 HB VAL A 67 -0.404 -6.003 7.333 1.00 1.12 H new ATOM 0 HG11 VAL A 67 0.368 -3.977 6.169 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -0.475 -5.092 5.067 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -1.304 -3.634 5.664 1.00 1.59 H new ATOM 0 HG21 VAL A 67 -0.253 -3.871 8.557 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -1.951 -3.524 8.154 1.00 1.51 H new ATOM 0 HG23 VAL A 67 -1.549 -4.910 9.196 1.00 1.51 H new ATOM 856 N LEU A 68 -3.365 -7.292 5.058 1.00 0.86 N ATOM 857 CA LEU A 68 -3.317 -8.315 4.020 1.00 0.89 C ATOM 858 C LEU A 68 -3.089 -7.682 2.651 1.00 0.81 C ATOM 859 O LEU A 68 -3.727 -6.690 2.304 1.00 0.75 O ATOM 860 CB LEU A 68 -4.617 -9.121 4.018 1.00 0.99 C ATOM 861 CG LEU A 68 -4.759 -10.134 2.879 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.371 -11.529 3.350 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.182 -10.132 2.337 1.00 1.10 C ATOM 0 H LEU A 68 -4.291 -6.893 5.213 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.484 -8.985 4.232 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.697 -9.652 4.966 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.455 -8.426 3.970 1.00 0.99 H new ATOM 0 HG LEU A 68 -4.083 -9.842 2.075 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -4.479 -12.234 2.526 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.335 -11.523 3.690 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -5.021 -11.829 4.172 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -6.264 -10.858 1.528 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -6.876 -10.397 3.135 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -6.426 -9.139 1.960 1.00 1.10 H new ATOM 869 N SER A 69 -2.176 -8.262 1.880 1.00 0.96 N ATOM 870 CA SER A 69 -1.865 -7.750 0.550 1.00 0.97 C ATOM 871 C SER A 69 -1.828 -8.876 -0.477 1.00 0.86 C ATOM 872 O SER A 69 -1.588 -10.033 -0.136 1.00 0.89 O ATOM 873 CB SER A 69 -0.525 -7.014 0.563 1.00 1.18 C ATOM 874 OG SER A 69 -0.207 -6.553 1.864 1.00 1.85 O ATOM 0 H SER A 69 -1.639 -9.085 2.152 1.00 0.96 H new ATOM 0 HA SER A 69 -2.653 -7.053 0.267 1.00 0.97 H new ATOM 0 HB2 SER A 69 0.262 -7.679 0.208 1.00 1.18 H new ATOM 0 HB3 SER A 69 -0.564 -6.170 -0.126 1.00 1.18 H new ATOM 0 HG SER A 69 0.733 -6.279 1.893 1.00 1.85 H new ATOM 880 N PHE A 70 -2.068 -8.524 -1.735 1.00 0.81 N ATOM 881 CA PHE A 70 -2.062 -9.501 -2.817 1.00 0.82 C ATOM 882 C PHE A 70 -0.835 -9.311 -3.709 1.00 0.91 C ATOM 883 O PHE A 70 -0.801 -8.406 -4.548 1.00 1.03 O ATOM 884 CB PHE A 70 -3.340 -9.378 -3.649 1.00 0.89 C ATOM 885 CG PHE A 70 -4.556 -9.943 -2.971 1.00 0.96 C ATOM 886 CD1 PHE A 70 -4.822 -11.302 -3.013 1.00 1.81 C ATOM 887 CD2 PHE A 70 -5.435 -9.111 -2.294 1.00 1.16 C ATOM 888 CE1 PHE A 70 -5.942 -11.822 -2.392 1.00 2.03 C ATOM 889 CE2 PHE A 70 -6.557 -9.625 -1.672 1.00 1.33 C ATOM 890 CZ PHE A 70 -6.811 -10.982 -1.721 1.00 1.48 C ATOM 0 H PHE A 70 -2.269 -7.569 -2.031 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.020 -10.498 -2.378 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -3.516 -8.326 -3.876 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -3.195 -9.889 -4.601 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -4.147 -11.962 -3.537 1.00 1.81 H new ATOM 0 HD2 PHE A 70 -5.241 -8.049 -2.252 1.00 1.16 H new ATOM 0 HE1 PHE A 70 -6.138 -12.883 -2.431 1.00 2.03 H new ATOM 0 HE2 PHE A 70 -7.234 -8.967 -1.148 1.00 1.33 H new ATOM 0 HZ PHE A 70 -7.687 -11.386 -1.236 1.00 1.48 H new ATOM 900 N PRO A 71 0.197 -10.161 -3.536 1.00 0.95 N ATOM 901 CA PRO A 71 1.430 -10.082 -4.323 1.00 1.11 C ATOM 902 C PRO A 71 1.218 -10.514 -5.771 1.00 1.11 C ATOM 903 O PRO A 71 0.302 -11.280 -6.072 1.00 1.14 O ATOM 904 CB PRO A 71 2.389 -11.056 -3.616 1.00 1.18 C ATOM 905 CG PRO A 71 1.724 -11.419 -2.329 1.00 1.13 C ATOM 906 CD PRO A 71 0.250 -11.256 -2.560 1.00 0.95 C ATOM 0 HA PRO A 71 1.807 -9.060 -4.373 1.00 1.11 H new ATOM 0 HB2 PRO A 71 2.568 -11.941 -4.227 1.00 1.18 H new ATOM 0 HB3 PRO A 71 3.358 -10.590 -3.438 1.00 1.18 H new ATOM 0 HG2 PRO A 71 1.962 -12.443 -2.043 1.00 1.13 H new ATOM 0 HG3 PRO A 71 2.065 -10.774 -1.519 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -0.202 -12.168 -2.949 1.00 0.95 H new ATOM 0 HD3 PRO A 71 -0.279 -11.005 -1.641 1.00 0.95 H new ATOM 914 N PHE A 72 2.074 -10.024 -6.663 1.00 1.22 N ATOM 915 CA PHE A 72 1.979 -10.366 -8.078 1.00 1.28 C ATOM 916 C PHE A 72 2.521 -11.770 -8.331 1.00 1.36 C ATOM 917 O PHE A 72 2.986 -12.443 -7.411 1.00 1.47 O ATOM 918 CB PHE A 72 2.738 -9.338 -8.928 1.00 1.36 C ATOM 919 CG PHE A 72 4.220 -9.586 -9.026 1.00 1.05 C ATOM 920 CD1 PHE A 72 4.936 -10.054 -7.934 1.00 1.38 C ATOM 921 CD2 PHE A 72 4.897 -9.348 -10.212 1.00 1.65 C ATOM 922 CE1 PHE A 72 6.296 -10.281 -8.025 1.00 1.46 C ATOM 923 CE2 PHE A 72 6.257 -9.573 -10.309 1.00 1.83 C ATOM 924 CZ PHE A 72 6.958 -10.040 -9.214 1.00 1.39 C ATOM 0 H PHE A 72 2.839 -9.391 -6.432 1.00 1.22 H new ATOM 0 HA PHE A 72 0.928 -10.348 -8.366 1.00 1.28 H new ATOM 0 HB2 PHE A 72 2.315 -9.332 -9.933 1.00 1.36 H new ATOM 0 HB3 PHE A 72 2.575 -8.346 -8.508 1.00 1.36 H new ATOM 0 HD1 PHE A 72 4.425 -10.243 -7.002 1.00 1.38 H new ATOM 0 HD2 PHE A 72 4.355 -8.982 -11.071 1.00 1.65 H new ATOM 0 HE1 PHE A 72 6.841 -10.647 -7.167 1.00 1.46 H new ATOM 0 HE2 PHE A 72 6.771 -9.384 -11.240 1.00 1.83 H new ATOM 0 HZ PHE A 72 8.021 -10.216 -9.287 1.00 1.39 H new ATOM 934 N GLU A 73 2.462 -12.206 -9.585 1.00 1.56 N ATOM 935 CA GLU A 73 2.952 -13.527 -9.957 1.00 1.67 C ATOM 936 C GLU A 73 4.457 -13.628 -9.729 1.00 1.31 C ATOM 937 O GLU A 73 5.230 -12.847 -10.281 1.00 1.43 O ATOM 938 CB GLU A 73 2.624 -13.824 -11.422 1.00 2.21 C ATOM 939 CG GLU A 73 1.190 -13.493 -11.804 1.00 2.25 C ATOM 940 CD GLU A 73 0.771 -14.140 -13.109 1.00 2.36 C ATOM 941 OE1 GLU A 73 0.340 -15.312 -13.080 1.00 2.62 O ATOM 942 OE2 GLU A 73 0.874 -13.474 -14.161 1.00 2.89 O ATOM 0 H GLU A 73 2.080 -11.664 -10.360 1.00 1.56 H new ATOM 0 HA GLU A 73 2.455 -14.264 -9.327 1.00 1.67 H new ATOM 0 HB2 GLU A 73 3.301 -13.256 -12.060 1.00 2.21 H new ATOM 0 HB3 GLU A 73 2.810 -14.880 -11.620 1.00 2.21 H new ATOM 0 HG2 GLU A 73 0.521 -13.821 -11.009 1.00 2.25 H new ATOM 0 HG3 GLU A 73 1.080 -12.412 -11.887 1.00 2.25 H new ATOM 949 N CYS A 74 4.865 -14.593 -8.910 1.00 1.48 N ATOM 950 CA CYS A 74 6.278 -14.792 -8.609 1.00 1.68 C ATOM 951 C CYS A 74 6.798 -16.077 -9.251 1.00 1.76 C ATOM 952 O CYS A 74 7.119 -17.043 -8.559 1.00 2.31 O ATOM 953 CB CYS A 74 6.496 -14.837 -7.095 1.00 2.63 C ATOM 954 SG CYS A 74 8.222 -15.055 -6.602 1.00 3.95 S ATOM 0 H CYS A 74 4.238 -15.248 -8.444 1.00 1.48 H new ATOM 0 HA CYS A 74 6.834 -13.952 -9.024 1.00 1.68 H new ATOM 0 HB2 CYS A 74 6.118 -13.913 -6.657 1.00 2.63 H new ATOM 0 HB3 CYS A 74 5.905 -15.652 -6.678 1.00 2.63 H new ATOM 0 HG CYS A 74 8.713 -16.104 -7.193 1.00 3.95 H new ATOM 960 N PRO A 75 6.886 -16.101 -10.592 1.00 1.68 N ATOM 961 CA PRO A 75 7.368 -17.271 -11.331 1.00 2.01 C ATOM 962 C PRO A 75 8.805 -17.640 -10.969 1.00 2.43 C ATOM 963 O PRO A 75 9.039 -18.577 -10.207 1.00 3.08 O ATOM 964 CB PRO A 75 7.269 -16.845 -12.803 1.00 2.13 C ATOM 965 CG PRO A 75 7.200 -15.355 -12.777 1.00 2.21 C ATOM 966 CD PRO A 75 6.522 -14.992 -11.487 1.00 1.89 C ATOM 0 HA PRO A 75 6.784 -18.161 -11.099 1.00 2.01 H new ATOM 0 HB2 PRO A 75 8.133 -17.189 -13.371 1.00 2.13 H new ATOM 0 HB3 PRO A 75 6.385 -17.272 -13.278 1.00 2.13 H new ATOM 0 HG2 PRO A 75 8.197 -14.918 -12.830 1.00 2.21 H new ATOM 0 HG3 PRO A 75 6.640 -14.976 -13.632 1.00 2.21 H new ATOM 0 HD2 PRO A 75 6.872 -14.034 -11.104 1.00 1.89 H new ATOM 0 HD3 PRO A 75 5.442 -14.911 -11.609 1.00 1.89 H new ATOM 974 N ASP A 76 9.764 -16.901 -11.519 1.00 2.55 N ATOM 975 CA ASP A 76 11.174 -17.158 -11.250 1.00 3.28 C ATOM 976 C ASP A 76 11.849 -15.936 -10.630 1.00 3.54 C ATOM 977 O ASP A 76 12.028 -15.866 -9.414 1.00 4.33 O ATOM 978 CB ASP A 76 11.896 -17.559 -12.540 1.00 3.70 C ATOM 979 CG ASP A 76 11.944 -19.062 -12.731 1.00 4.37 C ATOM 980 OD1 ASP A 76 10.924 -19.728 -12.455 1.00 4.93 O ATOM 981 OD2 ASP A 76 13.001 -19.573 -13.156 1.00 4.70 O ATOM 0 H ASP A 76 9.590 -16.121 -12.153 1.00 2.55 H new ATOM 0 HA ASP A 76 11.236 -17.979 -10.536 1.00 3.28 H new ATOM 0 HB2 ASP A 76 11.392 -17.103 -13.392 1.00 3.70 H new ATOM 0 HB3 ASP A 76 12.912 -17.165 -12.522 1.00 3.70 H new ATOM 986 N GLU A 77 12.225 -14.978 -11.471 1.00 3.34 N ATOM 987 CA GLU A 77 12.884 -13.764 -11.001 1.00 4.10 C ATOM 988 C GLU A 77 12.189 -12.514 -11.534 1.00 4.12 C ATOM 989 O GLU A 77 12.025 -11.531 -10.813 1.00 4.72 O ATOM 990 CB GLU A 77 14.355 -13.761 -11.425 1.00 4.59 C ATOM 991 CG GLU A 77 15.174 -14.867 -10.781 1.00 5.37 C ATOM 992 CD GLU A 77 16.069 -14.357 -9.668 1.00 6.17 C ATOM 993 OE1 GLU A 77 17.191 -13.900 -9.970 1.00 6.39 O ATOM 994 OE2 GLU A 77 15.648 -14.415 -8.493 1.00 6.84 O ATOM 0 H GLU A 77 12.085 -15.018 -12.481 1.00 3.34 H new ATOM 0 HA GLU A 77 12.822 -13.751 -9.913 1.00 4.10 H new ATOM 0 HB2 GLU A 77 14.413 -13.861 -12.509 1.00 4.59 H new ATOM 0 HB3 GLU A 77 14.796 -12.798 -11.170 1.00 4.59 H new ATOM 0 HG2 GLU A 77 14.502 -15.627 -10.382 1.00 5.37 H new ATOM 0 HG3 GLU A 77 15.786 -15.351 -11.542 1.00 5.37 H new ATOM 1001 N VAL A 78 11.783 -12.563 -12.801 1.00 3.88 N ATOM 1002 CA VAL A 78 11.103 -11.441 -13.452 1.00 4.32 C ATOM 1003 C VAL A 78 11.750 -10.101 -13.105 1.00 4.59 C ATOM 1004 O VAL A 78 11.450 -9.502 -12.073 1.00 4.66 O ATOM 1005 CB VAL A 78 9.605 -11.387 -13.088 1.00 4.22 C ATOM 1006 CG1 VAL A 78 8.835 -12.452 -13.852 1.00 3.62 C ATOM 1007 CG2 VAL A 78 9.397 -11.545 -11.589 1.00 4.61 C ATOM 0 H VAL A 78 11.914 -13.375 -13.404 1.00 3.88 H new ATOM 0 HA VAL A 78 11.201 -11.613 -14.524 1.00 4.32 H new ATOM 0 HB VAL A 78 9.222 -10.408 -13.376 1.00 4.22 H new ATOM 0 HG11 VAL A 78 7.780 -12.401 -13.584 1.00 3.62 H new ATOM 0 HG12 VAL A 78 8.946 -12.283 -14.923 1.00 3.62 H new ATOM 0 HG13 VAL A 78 9.226 -13.437 -13.597 1.00 3.62 H new ATOM 0 HG21 VAL A 78 8.332 -11.503 -11.363 1.00 4.61 H new ATOM 0 HG22 VAL A 78 9.799 -12.505 -11.265 1.00 4.61 H new ATOM 0 HG23 VAL A 78 9.911 -10.740 -11.063 1.00 4.61 H new ATOM 1011 N GLU A 79 12.637 -9.638 -13.980 1.00 5.02 N ATOM 1012 CA GLU A 79 13.327 -8.370 -13.771 1.00 5.37 C ATOM 1013 C GLU A 79 12.477 -7.200 -14.259 1.00 4.83 C ATOM 1014 O GLU A 79 12.744 -6.622 -15.312 1.00 5.25 O ATOM 1015 CB GLU A 79 14.673 -8.375 -14.496 1.00 6.47 C ATOM 1016 CG GLU A 79 15.576 -9.532 -14.095 1.00 7.05 C ATOM 1017 CD GLU A 79 15.718 -10.570 -15.191 1.00 7.91 C ATOM 1018 OE1 GLU A 79 16.488 -10.328 -16.143 1.00 8.58 O ATOM 1019 OE2 GLU A 79 15.056 -11.625 -15.098 1.00 8.13 O ATOM 0 H GLU A 79 12.895 -10.122 -14.840 1.00 5.02 H new ATOM 0 HA GLU A 79 13.498 -8.249 -12.701 1.00 5.37 H new ATOM 0 HB2 GLU A 79 14.497 -8.418 -15.571 1.00 6.47 H new ATOM 0 HB3 GLU A 79 15.188 -7.436 -14.294 1.00 6.47 H new ATOM 0 HG2 GLU A 79 16.562 -9.145 -13.836 1.00 7.05 H new ATOM 0 HG3 GLU A 79 15.175 -10.007 -13.200 1.00 7.05 H new ATOM 1026 N LEU A 80 11.452 -6.856 -13.486 1.00 4.12 N ATOM 1027 CA LEU A 80 10.564 -5.753 -13.839 1.00 3.69 C ATOM 1028 C LEU A 80 9.999 -5.085 -12.585 1.00 3.19 C ATOM 1029 O LEU A 80 9.479 -5.760 -11.697 1.00 2.62 O ATOM 1030 CB LEU A 80 9.419 -6.255 -14.722 1.00 3.48 C ATOM 1031 CG LEU A 80 8.839 -7.613 -14.320 1.00 3.52 C ATOM 1032 CD1 LEU A 80 7.320 -7.592 -14.400 1.00 4.01 C ATOM 1033 CD2 LEU A 80 9.405 -8.716 -15.201 1.00 3.62 C ATOM 0 H LEU A 80 11.215 -7.325 -12.611 1.00 4.12 H new ATOM 0 HA LEU A 80 11.145 -5.015 -14.392 1.00 3.69 H new ATOM 0 HB2 LEU A 80 8.618 -5.516 -14.707 1.00 3.48 H new ATOM 0 HB3 LEU A 80 9.775 -6.319 -15.750 1.00 3.48 H new ATOM 0 HG LEU A 80 9.124 -7.816 -13.288 1.00 3.52 H new ATOM 0 HD11 LEU A 80 6.927 -8.567 -14.110 1.00 4.01 H new ATOM 0 HD12 LEU A 80 6.931 -6.829 -13.726 1.00 4.01 H new ATOM 0 HD13 LEU A 80 7.013 -7.366 -15.421 1.00 4.01 H new ATOM 0 HD21 LEU A 80 8.982 -9.675 -14.901 1.00 3.62 H new ATOM 0 HD22 LEU A 80 9.151 -8.517 -16.242 1.00 3.62 H new ATOM 0 HD23 LEU A 80 10.489 -8.748 -15.092 1.00 3.62 H new ATOM 1039 N PRO A 81 10.093 -3.745 -12.492 1.00 3.80 N ATOM 1040 CA PRO A 81 9.585 -2.997 -11.334 1.00 3.74 C ATOM 1041 C PRO A 81 8.092 -3.215 -11.109 1.00 2.98 C ATOM 1042 O PRO A 81 7.311 -3.252 -12.061 1.00 3.21 O ATOM 1043 CB PRO A 81 9.859 -1.532 -11.694 1.00 4.99 C ATOM 1044 CG PRO A 81 10.921 -1.580 -12.737 1.00 5.53 C ATOM 1045 CD PRO A 81 10.697 -2.854 -13.498 1.00 4.94 C ATOM 0 HA PRO A 81 10.065 -3.318 -10.409 1.00 3.74 H new ATOM 0 HB2 PRO A 81 8.960 -1.044 -12.069 1.00 4.99 H new ATOM 0 HB3 PRO A 81 10.188 -0.967 -10.822 1.00 4.99 H new ATOM 0 HG2 PRO A 81 10.859 -0.715 -13.397 1.00 5.53 H new ATOM 0 HG3 PRO A 81 11.913 -1.565 -12.285 1.00 5.53 H new ATOM 0 HD2 PRO A 81 10.035 -2.703 -14.351 1.00 4.94 H new ATOM 0 HD3 PRO A 81 11.631 -3.260 -13.887 1.00 4.94 H new ATOM 1053 N LEU A 82 7.701 -3.355 -9.845 1.00 2.52 N ATOM 1054 CA LEU A 82 6.300 -3.565 -9.495 1.00 1.87 C ATOM 1055 C LEU A 82 6.118 -3.614 -7.980 1.00 1.58 C ATOM 1056 O LEU A 82 7.081 -3.781 -7.232 1.00 2.06 O ATOM 1057 CB LEU A 82 5.775 -4.858 -10.136 1.00 1.92 C ATOM 1058 CG LEU A 82 6.217 -6.168 -9.469 1.00 1.91 C ATOM 1059 CD1 LEU A 82 7.688 -6.115 -9.084 1.00 2.25 C ATOM 1060 CD2 LEU A 82 5.356 -6.464 -8.250 1.00 2.10 C ATOM 0 H LEU A 82 8.335 -3.327 -9.046 1.00 2.52 H new ATOM 0 HA LEU A 82 5.725 -2.723 -9.881 1.00 1.87 H new ATOM 0 HB2 LEU A 82 4.686 -4.823 -10.136 1.00 1.92 H new ATOM 0 HB3 LEU A 82 6.094 -4.879 -11.178 1.00 1.92 H new ATOM 0 HG LEU A 82 6.086 -6.975 -10.190 1.00 1.91 H new ATOM 0 HD11 LEU A 82 7.975 -7.055 -8.614 1.00 2.25 H new ATOM 0 HD12 LEU A 82 8.292 -5.957 -9.977 1.00 2.25 H new ATOM 0 HD13 LEU A 82 7.852 -5.295 -8.385 1.00 2.25 H new ATOM 0 HD21 LEU A 82 5.684 -7.396 -7.790 1.00 2.10 H new ATOM 0 HD22 LEU A 82 5.452 -5.651 -7.530 1.00 2.10 H new ATOM 0 HD23 LEU A 82 4.314 -6.557 -8.555 1.00 2.10 H new ATOM 1066 N LEU A 83 4.875 -3.463 -7.532 1.00 1.15 N ATOM 1067 CA LEU A 83 4.569 -3.491 -6.106 1.00 1.18 C ATOM 1068 C LEU A 83 3.477 -4.512 -5.796 1.00 1.05 C ATOM 1069 O LEU A 83 3.525 -5.197 -4.775 1.00 1.39 O ATOM 1070 CB LEU A 83 4.139 -2.101 -5.628 1.00 1.20 C ATOM 1071 CG LEU A 83 4.982 -1.521 -4.491 1.00 2.03 C ATOM 1072 CD1 LEU A 83 5.046 -2.494 -3.324 1.00 3.13 C ATOM 1073 CD2 LEU A 83 6.381 -1.186 -4.985 1.00 2.48 C ATOM 0 H LEU A 83 4.065 -3.320 -8.135 1.00 1.15 H new ATOM 0 HA LEU A 83 5.473 -3.788 -5.574 1.00 1.18 H new ATOM 0 HB2 LEU A 83 4.175 -1.415 -6.474 1.00 1.20 H new ATOM 0 HB3 LEU A 83 3.100 -2.150 -5.302 1.00 1.20 H new ATOM 0 HG LEU A 83 4.509 -0.602 -4.145 1.00 2.03 H new ATOM 0 HD11 LEU A 83 5.650 -2.064 -2.525 1.00 3.13 H new ATOM 0 HD12 LEU A 83 4.039 -2.686 -2.955 1.00 3.13 H new ATOM 0 HD13 LEU A 83 5.495 -3.430 -3.655 1.00 3.13 H new ATOM 0 HD21 LEU A 83 6.968 -0.774 -4.164 1.00 2.48 H new ATOM 0 HD22 LEU A 83 6.862 -2.091 -5.357 1.00 2.48 H new ATOM 0 HD23 LEU A 83 6.317 -0.452 -5.789 1.00 2.48 H new ATOM 1079 N GLY A 84 2.491 -4.607 -6.683 1.00 0.86 N ATOM 1080 CA GLY A 84 1.399 -5.544 -6.486 1.00 1.17 C ATOM 1081 C GLY A 84 0.171 -4.890 -5.881 1.00 1.02 C ATOM 1082 O GLY A 84 0.009 -3.670 -5.949 1.00 0.95 O ATOM 0 H GLY A 84 2.429 -4.051 -7.536 1.00 0.86 H new ATOM 0 HA2 GLY A 84 1.133 -5.993 -7.443 1.00 1.17 H new ATOM 0 HA3 GLY A 84 1.732 -6.353 -5.836 1.00 1.17 H new ATOM 1086 N ASP A 85 -0.699 -5.704 -5.287 1.00 1.00 N ATOM 1087 CA ASP A 85 -1.918 -5.195 -4.670 1.00 0.88 C ATOM 1088 C ASP A 85 -1.829 -5.283 -3.148 1.00 0.82 C ATOM 1089 O ASP A 85 -1.125 -6.136 -2.606 1.00 0.93 O ATOM 1090 CB ASP A 85 -3.135 -5.969 -5.181 1.00 0.86 C ATOM 1091 CG ASP A 85 -4.420 -5.579 -4.472 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -4.666 -6.095 -3.362 1.00 2.12 O ATOM 1093 OD2 ASP A 85 -5.178 -4.759 -5.029 1.00 2.17 O ATOM 0 H ASP A 85 -0.582 -6.715 -5.221 1.00 1.00 H new ATOM 0 HA ASP A 85 -2.032 -4.146 -4.945 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -3.248 -5.794 -6.251 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -2.962 -7.037 -5.049 1.00 0.86 H new ATOM 1098 N LEU A 86 -2.539 -4.390 -2.465 1.00 0.73 N ATOM 1099 CA LEU A 86 -2.529 -4.361 -1.008 1.00 0.69 C ATOM 1100 C LEU A 86 -3.924 -4.113 -0.445 1.00 0.60 C ATOM 1101 O LEU A 86 -4.627 -3.205 -0.883 1.00 0.71 O ATOM 1102 CB LEU A 86 -1.572 -3.274 -0.513 1.00 0.82 C ATOM 1103 CG LEU A 86 -0.575 -3.723 0.556 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.761 -4.080 -0.079 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -0.396 -2.640 1.610 1.00 1.10 C ATOM 0 H LEU A 86 -3.128 -3.678 -2.897 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.190 -5.336 -0.657 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.016 -2.886 -1.366 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.161 -2.448 -0.114 1.00 0.82 H new ATOM 0 HG LEU A 86 -0.972 -4.613 1.045 1.00 0.94 H new ATOM 0 HD11 LEU A 86 1.459 -4.397 0.696 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.619 -4.891 -0.794 1.00 1.41 H new ATOM 0 HD13 LEU A 86 1.163 -3.208 -0.595 1.00 1.41 H new ATOM 0 HD21 LEU A 86 0.317 -2.978 2.362 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -0.022 -1.731 1.138 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -1.355 -2.434 2.086 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.307 -4.917 0.542 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.607 -4.781 1.185 1.00 0.59 C ATOM 1113 C VAL A 87 -5.431 -4.437 2.660 1.00 0.66 C ATOM 1114 O VAL A 87 -5.508 -5.308 3.525 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.440 -6.073 1.066 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -7.886 -5.813 1.461 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.359 -6.636 -0.346 1.00 1.15 C ATOM 0 H VAL A 87 -3.732 -5.672 0.914 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.139 -3.978 0.674 1.00 0.59 H new ATOM 0 HB VAL A 87 -6.026 -6.813 1.751 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -8.459 -6.736 1.371 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -7.924 -5.461 2.492 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.312 -5.055 0.803 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -6.953 -7.547 -0.409 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -6.745 -5.902 -1.053 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -5.321 -6.863 -0.588 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.175 -3.162 2.936 1.00 0.57 N ATOM 1122 CA ILE A 88 -4.967 -2.705 4.305 1.00 0.66 C ATOM 1123 C ILE A 88 -6.294 -2.482 5.028 1.00 0.74 C ATOM 1124 O ILE A 88 -7.257 -1.981 4.447 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.125 -1.405 4.333 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -2.638 -1.739 4.206 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -4.380 -0.603 5.605 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -1.859 -0.727 3.393 1.00 1.94 C ATOM 0 H ILE A 88 -5.107 -2.428 2.231 1.00 0.57 H new ATOM 0 HA ILE A 88 -4.420 -3.490 4.828 1.00 0.66 H new ATOM 0 HB ILE A 88 -4.428 -0.790 3.485 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -2.202 -1.805 5.203 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -2.532 -2.722 3.746 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.773 0.303 5.592 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -5.435 -0.333 5.659 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -4.115 -1.205 6.474 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -0.812 -1.027 3.345 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -2.269 -0.677 2.384 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -1.934 0.253 3.864 1.00 1.94 H new ATOM 1132 N CYS A 89 -6.328 -2.852 6.306 1.00 0.79 N ATOM 1133 CA CYS A 89 -7.524 -2.689 7.122 1.00 0.89 C ATOM 1134 C CYS A 89 -7.406 -1.444 7.994 1.00 0.78 C ATOM 1135 O CYS A 89 -6.698 -1.442 9.000 1.00 0.73 O ATOM 1136 CB CYS A 89 -7.745 -3.922 7.998 1.00 1.12 C ATOM 1137 SG CYS A 89 -9.450 -4.124 8.568 1.00 1.32 S ATOM 0 H CYS A 89 -5.537 -3.268 6.798 1.00 0.79 H new ATOM 0 HA CYS A 89 -8.380 -2.573 6.457 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -7.452 -4.810 7.438 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -7.088 -3.861 8.865 1.00 1.12 H new ATOM 0 HG CYS A 89 -10.264 -3.618 7.690 1.00 1.32 H new ATOM 1143 N ARG A 90 -8.097 -0.384 7.591 1.00 0.91 N ATOM 1144 CA ARG A 90 -8.067 0.879 8.322 1.00 0.91 C ATOM 1145 C ARG A 90 -8.410 0.687 9.798 1.00 0.81 C ATOM 1146 O ARG A 90 -7.965 1.452 10.648 1.00 0.99 O ATOM 1147 CB ARG A 90 -9.041 1.874 7.689 1.00 1.14 C ATOM 1148 CG ARG A 90 -10.455 1.332 7.543 1.00 2.09 C ATOM 1149 CD ARG A 90 -11.472 2.224 8.237 1.00 2.56 C ATOM 1150 NE ARG A 90 -11.480 2.023 9.683 1.00 3.28 N ATOM 1151 CZ ARG A 90 -12.329 2.626 10.512 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -13.242 3.468 10.040 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -12.267 2.386 11.814 1.00 5.12 N ATOM 0 H ARG A 90 -8.687 -0.374 6.759 1.00 0.91 H new ATOM 0 HA ARG A 90 -7.052 1.271 8.263 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -9.068 2.779 8.296 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -8.667 2.161 6.706 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -10.706 1.248 6.485 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -10.505 0.327 7.963 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -11.248 3.268 8.017 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -12.465 2.020 7.837 1.00 2.56 H new ATOM 0 HE ARG A 90 -10.794 1.382 10.082 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -13.294 3.655 9.039 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -13.891 3.928 10.679 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -11.569 1.739 12.181 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -12.918 2.848 12.449 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.213 -0.325 10.097 1.00 0.66 N ATOM 1168 CA GLN A 91 -9.626 -0.596 11.474 1.00 0.63 C ATOM 1169 C GLN A 91 -8.470 -0.464 12.472 1.00 0.58 C ATOM 1170 O GLN A 91 -8.631 0.135 13.537 1.00 0.58 O ATOM 1171 CB GLN A 91 -10.252 -1.991 11.574 1.00 0.69 C ATOM 1172 CG GLN A 91 -11.766 -1.968 11.705 1.00 0.83 C ATOM 1173 CD GLN A 91 -12.345 -3.333 12.018 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -11.762 -4.109 12.775 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -13.500 -3.633 11.435 1.00 1.12 N ATOM 0 H GLN A 91 -9.593 -0.974 9.408 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.367 0.158 11.739 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -9.981 -2.567 10.689 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -9.829 -2.510 12.434 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -12.048 -1.269 12.492 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -12.202 -1.597 10.777 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -13.948 -2.959 10.814 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -13.939 -4.537 11.608 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.311 -1.031 12.141 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.159 -0.976 13.039 1.00 0.60 C ATOM 1184 C VAL A 92 -5.320 0.288 12.845 1.00 0.55 C ATOM 1185 O VAL A 92 -5.054 1.013 13.805 1.00 0.65 O ATOM 1186 CB VAL A 92 -5.257 -2.219 12.875 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -4.662 -2.281 11.477 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -4.160 -2.226 13.929 1.00 1.68 C ATOM 0 H VAL A 92 -7.145 -1.529 11.266 1.00 0.58 H new ATOM 0 HA VAL A 92 -6.569 -0.957 14.049 1.00 0.60 H new ATOM 0 HB VAL A 92 -5.874 -3.106 13.016 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -4.031 -3.166 11.389 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -5.465 -2.333 10.742 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -4.063 -1.389 11.297 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -3.535 -3.109 13.798 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -3.549 -1.330 13.824 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -4.609 -2.244 14.922 1.00 1.68 H new ATOM 1192 N VAL A 93 -4.894 0.548 11.613 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.078 1.722 11.328 1.00 0.49 C ATOM 1194 C VAL A 93 -4.849 3.011 11.612 1.00 0.54 C ATOM 1195 O VAL A 93 -4.290 3.969 12.147 1.00 0.61 O ATOM 1196 CB VAL A 93 -3.562 1.709 9.871 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -4.705 1.464 8.900 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -2.817 2.997 9.535 1.00 0.69 C ATOM 0 H VAL A 93 -5.099 -0.034 10.801 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.214 1.687 11.992 1.00 0.49 H new ATOM 0 HB VAL A 93 -2.852 0.888 9.772 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -4.321 1.459 7.880 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -5.168 0.502 9.119 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -5.447 2.256 9.004 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -2.467 2.956 8.504 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -3.487 3.848 9.657 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -1.963 3.109 10.204 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.135 3.032 11.270 1.00 0.59 N ATOM 1203 CA GLU A 94 -6.959 4.211 11.518 1.00 0.69 C ATOM 1204 C GLU A 94 -7.099 4.441 13.017 1.00 0.67 C ATOM 1205 O GLU A 94 -6.901 5.553 13.507 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.344 4.064 10.881 1.00 0.78 C ATOM 1207 CG GLU A 94 -9.003 5.393 10.542 1.00 1.31 C ATOM 1208 CD GLU A 94 -9.044 6.343 11.724 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -9.480 5.916 12.813 1.00 2.25 O ATOM 1210 OE2 GLU A 94 -8.640 7.513 11.559 1.00 1.98 O ATOM 0 H GLU A 94 -6.624 2.255 10.825 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.466 5.070 11.063 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.255 3.470 9.972 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -8.991 3.510 11.562 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -8.462 5.864 9.721 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -10.019 5.211 10.191 1.00 1.31 H new ATOM 1217 N ARG A 95 -7.428 3.376 13.747 1.00 0.59 N ATOM 1218 CA ARG A 95 -7.575 3.464 15.193 1.00 0.61 C ATOM 1219 C ARG A 95 -6.257 3.896 15.828 1.00 0.70 C ATOM 1220 O ARG A 95 -6.214 4.840 16.621 1.00 0.77 O ATOM 1221 CB ARG A 95 -8.017 2.118 15.768 1.00 0.60 C ATOM 1222 CG ARG A 95 -8.550 2.210 17.191 1.00 0.87 C ATOM 1223 CD ARG A 95 -10.066 2.086 17.233 1.00 1.58 C ATOM 1224 NE ARG A 95 -10.500 0.964 18.062 1.00 2.18 N ATOM 1225 CZ ARG A 95 -10.494 -0.303 17.656 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -10.082 -0.614 16.433 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -10.903 -1.264 18.475 1.00 3.75 N ATOM 0 H ARG A 95 -7.596 2.447 13.360 1.00 0.59 H new ATOM 0 HA ARG A 95 -8.339 4.207 15.420 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -8.789 1.694 15.126 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -7.173 1.429 15.749 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -8.103 1.423 17.798 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -8.250 3.161 17.631 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -10.495 3.010 17.620 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -10.448 1.957 16.220 1.00 1.58 H new ATOM 0 HE ARG A 95 -10.827 1.164 19.007 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -9.768 0.120 15.799 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -10.080 -1.587 16.128 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -11.222 -1.031 19.415 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -10.898 -2.235 18.164 1.00 3.75 H new ATOM 1241 N GLU A 96 -5.180 3.205 15.459 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.856 3.522 15.980 1.00 0.86 C ATOM 1243 C GLU A 96 -3.476 4.956 15.626 1.00 0.90 C ATOM 1244 O GLU A 96 -2.929 5.686 16.453 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.817 2.549 15.419 1.00 0.93 C ATOM 1246 CG GLU A 96 -1.763 2.134 16.433 1.00 1.34 C ATOM 1247 CD GLU A 96 -1.393 0.668 16.321 1.00 1.68 C ATOM 1248 OE1 GLU A 96 -2.200 -0.183 16.752 1.00 1.89 O ATOM 1249 OE2 GLU A 96 -0.295 0.371 15.805 1.00 2.50 O ATOM 0 H GLU A 96 -5.200 2.424 14.803 1.00 0.73 H new ATOM 0 HA GLU A 96 -3.879 3.423 17.065 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -3.327 1.658 15.052 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -2.324 3.010 14.563 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -0.870 2.742 16.293 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -2.132 2.336 17.439 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.780 5.354 14.395 1.00 0.83 N ATOM 1257 CA ALA A 97 -3.481 6.703 13.934 1.00 0.92 C ATOM 1258 C ALA A 97 -4.307 7.725 14.702 1.00 1.00 C ATOM 1259 O ALA A 97 -3.793 8.754 15.139 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.743 6.823 12.439 1.00 0.87 C ATOM 0 H ALA A 97 -4.233 4.761 13.700 1.00 0.83 H new ATOM 0 HA ALA A 97 -2.426 6.905 14.118 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -3.515 7.837 12.110 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -3.111 6.116 11.901 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.791 6.602 12.234 1.00 0.87 H new ATOM 1266 N SER A 98 -5.592 7.428 14.872 1.00 0.92 N ATOM 1267 CA SER A 98 -6.491 8.315 15.598 1.00 1.01 C ATOM 1268 C SER A 98 -6.054 8.435 17.053 1.00 1.07 C ATOM 1269 O SER A 98 -6.163 9.501 17.660 1.00 1.18 O ATOM 1270 CB SER A 98 -7.928 7.796 15.524 1.00 0.99 C ATOM 1271 OG SER A 98 -8.833 8.713 16.115 1.00 1.50 O ATOM 0 H SER A 98 -6.033 6.580 14.516 1.00 0.92 H new ATOM 0 HA SER A 98 -6.451 9.301 15.135 1.00 1.01 H new ATOM 0 HB2 SER A 98 -8.204 7.628 14.483 1.00 0.99 H new ATOM 0 HB3 SER A 98 -7.997 6.834 16.032 1.00 0.99 H new ATOM 0 HG SER A 98 -9.745 8.359 16.053 1.00 1.50 H new ATOM 1277 N GLU A 99 -5.550 7.336 17.603 1.00 1.04 N ATOM 1278 CA GLU A 99 -5.084 7.317 18.984 1.00 1.13 C ATOM 1279 C GLU A 99 -3.686 7.919 19.087 1.00 1.27 C ATOM 1280 O GLU A 99 -3.316 8.483 20.117 1.00 1.45 O ATOM 1281 CB GLU A 99 -5.079 5.886 19.525 1.00 1.07 C ATOM 1282 CG GLU A 99 -5.477 5.787 20.989 1.00 1.76 C ATOM 1283 CD GLU A 99 -6.516 4.713 21.242 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -6.183 3.518 21.094 1.00 2.68 O ATOM 1285 OE2 GLU A 99 -7.664 5.065 21.587 1.00 2.88 O ATOM 0 H GLU A 99 -5.454 6.446 17.113 1.00 1.04 H new ATOM 0 HA GLU A 99 -5.767 7.918 19.584 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -5.761 5.279 18.930 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -4.083 5.462 19.399 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -4.591 5.578 21.589 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -5.867 6.749 21.321 1.00 1.76 H new ATOM 1292 N GLN A 100 -2.914 7.796 18.010 1.00 1.22 N ATOM 1293 CA GLN A 100 -1.558 8.329 17.973 1.00 1.37 C ATOM 1294 C GLN A 100 -1.573 9.843 17.780 1.00 1.48 C ATOM 1295 O GLN A 100 -0.655 10.542 18.208 1.00 1.63 O ATOM 1296 CB GLN A 100 -0.759 7.670 16.847 1.00 1.33 C ATOM 1297 CG GLN A 100 -0.181 6.316 17.223 1.00 1.96 C ATOM 1298 CD GLN A 100 1.301 6.208 16.919 1.00 2.38 C ATOM 1299 OE1 GLN A 100 2.022 7.205 16.927 1.00 3.19 O ATOM 1300 NE2 GLN A 100 1.763 4.993 16.646 1.00 2.35 N ATOM 0 H GLN A 100 -3.207 7.331 17.151 1.00 1.22 H new ATOM 0 HA GLN A 100 -1.081 8.106 18.928 1.00 1.37 H new ATOM 0 HB2 GLN A 100 -1.404 7.551 15.976 1.00 1.33 H new ATOM 0 HB3 GLN A 100 0.054 8.334 16.553 1.00 1.33 H new ATOM 0 HG2 GLN A 100 -0.344 6.139 18.286 1.00 1.96 H new ATOM 0 HG3 GLN A 100 -0.716 5.534 16.684 1.00 1.96 H new ATOM 0 HE21 GLN A 100 1.130 4.194 16.650 1.00 2.35 H new ATOM 0 HE22 GLN A 100 2.751 4.859 16.432 1.00 2.35 H new ATOM 1307 N GLU A 101 -2.623 10.343 17.133 1.00 1.44 N ATOM 1308 CA GLU A 101 -2.764 11.774 16.880 1.00 1.59 C ATOM 1309 C GLU A 101 -1.764 12.246 15.825 1.00 1.58 C ATOM 1310 O GLU A 101 -1.072 13.246 16.014 1.00 1.81 O ATOM 1311 CB GLU A 101 -2.573 12.571 18.174 1.00 1.80 C ATOM 1312 CG GLU A 101 -3.326 11.993 19.362 1.00 2.02 C ATOM 1313 CD GLU A 101 -2.742 12.430 20.691 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -1.809 11.758 21.179 1.00 2.68 O ATOM 1315 OE2 GLU A 101 -3.217 13.444 21.244 1.00 2.04 O ATOM 0 H GLU A 101 -3.391 9.776 16.773 1.00 1.44 H new ATOM 0 HA GLU A 101 -3.772 11.948 16.503 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -1.510 12.611 18.413 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -2.902 13.597 18.011 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -4.371 12.300 19.310 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -3.310 10.905 19.303 1.00 2.02 H new ATOM 1322 N LYS A 102 -1.699 11.520 14.713 1.00 1.36 N ATOM 1323 CA LYS A 102 -0.789 11.867 13.627 1.00 1.36 C ATOM 1324 C LYS A 102 -1.553 12.051 12.317 1.00 1.24 C ATOM 1325 O LYS A 102 -2.582 11.412 12.095 1.00 1.16 O ATOM 1326 CB LYS A 102 0.287 10.789 13.464 1.00 1.37 C ATOM 1327 CG LYS A 102 -0.243 9.466 12.933 1.00 1.77 C ATOM 1328 CD LYS A 102 0.490 8.285 13.550 1.00 2.28 C ATOM 1329 CE LYS A 102 -0.139 6.961 13.143 1.00 2.19 C ATOM 1330 NZ LYS A 102 0.738 6.191 12.219 1.00 2.36 N ATOM 0 H LYS A 102 -2.265 10.689 14.541 1.00 1.36 H new ATOM 0 HA LYS A 102 -0.305 12.810 13.879 1.00 1.36 H new ATOM 0 HB2 LYS A 102 1.058 11.158 12.788 1.00 1.37 H new ATOM 0 HB3 LYS A 102 0.765 10.617 14.429 1.00 1.37 H new ATOM 0 HG2 LYS A 102 -1.309 9.387 13.148 1.00 1.77 H new ATOM 0 HG3 LYS A 102 -0.134 9.438 11.849 1.00 1.77 H new ATOM 0 HD2 LYS A 102 1.535 8.302 13.240 1.00 2.28 H new ATOM 0 HD3 LYS A 102 0.478 8.376 14.636 1.00 2.28 H new ATOM 0 HE2 LYS A 102 -0.340 6.365 14.034 1.00 2.19 H new ATOM 0 HE3 LYS A 102 -1.099 7.148 12.661 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 0.274 5.296 11.965 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 0.909 6.748 11.358 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 1.645 5.990 12.687 1.00 2.36 H new ATOM 1344 N PRO A 103 -1.059 12.932 11.430 1.00 1.27 N ATOM 1345 CA PRO A 103 -1.703 13.200 10.139 1.00 1.21 C ATOM 1346 C PRO A 103 -2.002 11.923 9.361 1.00 1.01 C ATOM 1347 O PRO A 103 -1.259 10.944 9.444 1.00 0.97 O ATOM 1348 CB PRO A 103 -0.668 14.048 9.398 1.00 1.28 C ATOM 1349 CG PRO A 103 0.115 14.716 10.474 1.00 1.36 C ATOM 1350 CD PRO A 103 0.162 13.739 11.617 1.00 1.42 C ATOM 0 HA PRO A 103 -2.669 13.689 10.260 1.00 1.21 H new ATOM 0 HB2 PRO A 103 -0.028 13.430 8.768 1.00 1.28 H new ATOM 0 HB3 PRO A 103 -1.148 14.778 8.746 1.00 1.28 H new ATOM 0 HG2 PRO A 103 1.119 14.963 10.130 1.00 1.36 H new ATOM 0 HG3 PRO A 103 -0.357 15.650 10.778 1.00 1.36 H new ATOM 0 HD2 PRO A 103 1.060 13.122 11.581 1.00 1.42 H new ATOM 0 HD3 PRO A 103 0.163 14.248 12.581 1.00 1.42 H new ATOM 1358 N LEU A 104 -3.093 11.942 8.602 1.00 1.00 N ATOM 1359 CA LEU A 104 -3.491 10.787 7.804 1.00 0.93 C ATOM 1360 C LEU A 104 -2.628 10.660 6.546 1.00 0.85 C ATOM 1361 O LEU A 104 -2.735 9.681 5.806 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.970 10.894 7.420 1.00 1.11 C ATOM 1363 CG LEU A 104 -5.902 9.916 8.141 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -5.714 8.504 7.606 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -5.660 9.954 9.644 1.00 1.51 C ATOM 0 H LEU A 104 -3.718 12.745 8.523 1.00 1.00 H new ATOM 0 HA LEU A 104 -3.343 9.892 8.408 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -5.309 11.910 7.622 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -5.063 10.735 6.346 1.00 1.11 H new ATOM 0 HG LEU A 104 -6.931 10.221 7.951 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -6.385 7.824 8.131 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -5.940 8.486 6.540 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -4.682 8.190 7.764 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -6.332 9.252 10.139 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.627 9.676 9.853 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -5.848 10.961 10.017 1.00 1.51 H new ATOM 1371 N MET A 105 -1.771 11.649 6.310 1.00 0.98 N ATOM 1372 CA MET A 105 -0.895 11.633 5.146 1.00 0.99 C ATOM 1373 C MET A 105 0.097 10.479 5.244 1.00 0.76 C ATOM 1374 O MET A 105 0.193 9.649 4.340 1.00 0.81 O ATOM 1375 CB MET A 105 -0.152 12.965 5.024 1.00 1.22 C ATOM 1376 CG MET A 105 -0.445 13.706 3.730 1.00 1.08 C ATOM 1377 SD MET A 105 -1.970 14.664 3.810 1.00 1.56 S ATOM 1378 CE MET A 105 -3.179 13.357 4.004 1.00 1.27 C ATOM 0 H MET A 105 -1.666 12.469 6.908 1.00 0.98 H new ATOM 0 HA MET A 105 -1.504 11.491 4.253 1.00 0.99 H new ATOM 0 HB2 MET A 105 -0.422 13.601 5.867 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.920 12.782 5.094 1.00 1.22 H new ATOM 0 HG2 MET A 105 0.387 14.372 3.501 1.00 1.08 H new ATOM 0 HG3 MET A 105 -0.513 12.989 2.912 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.180 13.762 3.856 1.00 1.27 H new ATOM 0 HE2 MET A 105 -2.991 12.575 3.268 1.00 1.27 H new ATOM 0 HE3 MET A 105 -3.103 12.937 5.007 1.00 1.27 H new ATOM 1388 N ALA A 106 0.822 10.424 6.356 1.00 0.70 N ATOM 1389 CA ALA A 106 1.795 9.362 6.582 1.00 0.63 C ATOM 1390 C ALA A 106 1.093 8.025 6.797 1.00 0.54 C ATOM 1391 O ALA A 106 1.665 6.963 6.555 1.00 0.61 O ATOM 1392 CB ALA A 106 2.672 9.699 7.778 1.00 0.84 C ATOM 0 H ALA A 106 0.754 11.102 7.115 1.00 0.70 H new ATOM 0 HA ALA A 106 2.426 9.278 5.697 1.00 0.63 H new ATOM 0 HB1 ALA A 106 3.394 8.898 7.937 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.201 10.633 7.589 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.050 9.807 8.666 1.00 0.84 H new ATOM 1398 N HIS A 107 -0.157 8.092 7.252 1.00 0.53 N ATOM 1399 CA HIS A 107 -0.959 6.899 7.505 1.00 0.60 C ATOM 1400 C HIS A 107 -0.957 5.968 6.294 1.00 0.55 C ATOM 1401 O HIS A 107 -0.488 4.833 6.374 1.00 0.70 O ATOM 1402 CB HIS A 107 -2.391 7.313 7.867 1.00 0.70 C ATOM 1403 CG HIS A 107 -3.387 6.191 7.883 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -3.763 5.321 6.913 1.00 1.79 N flip ATOM 1405 CD2 HIS A 107 -4.148 5.881 8.989 1.00 1.93 C flip ATOM 1406 CE1 HIS A 107 -4.735 4.513 7.448 1.00 2.26 C flip ATOM 1407 NE2 HIS A 107 -4.948 4.871 8.700 1.00 2.34 N flip ATOM 0 H HIS A 107 -0.638 8.968 7.454 1.00 0.53 H new ATOM 0 HA HIS A 107 -0.521 6.352 8.340 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -2.380 7.784 8.850 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -2.727 8.068 7.156 1.00 0.70 H new ATOM 0 HD1 HIS A 107 -3.393 5.276 5.964 1.00 1.79 H new ATOM 0 HD2 HIS A 107 -4.098 6.385 9.943 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -5.243 3.714 6.929 1.00 2.26 H new ATOM 1416 N TRP A 108 -1.487 6.452 5.176 1.00 0.47 N ATOM 1417 CA TRP A 108 -1.545 5.653 3.957 1.00 0.46 C ATOM 1418 C TRP A 108 -0.146 5.387 3.408 1.00 0.43 C ATOM 1419 O TRP A 108 0.232 4.238 3.163 1.00 0.47 O ATOM 1420 CB TRP A 108 -2.395 6.361 2.900 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.799 6.627 3.351 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -4.751 5.699 3.662 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.410 7.909 3.540 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.916 6.326 4.035 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.732 7.681 3.968 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -3.968 9.225 3.391 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.613 8.723 4.248 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -4.843 10.259 3.669 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -6.153 10.002 4.094 1.00 2.00 C ATOM 0 H TRP A 108 -1.881 7.389 5.088 1.00 0.47 H new ATOM 0 HA TRP A 108 -2.004 4.695 4.203 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -1.920 7.306 2.635 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -2.420 5.752 1.996 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -4.609 4.629 3.621 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -6.778 5.858 4.316 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -2.960 9.432 3.064 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.624 8.528 4.575 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -4.511 11.281 3.557 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -6.813 10.831 4.304 1.00 2.00 H new ATOM 1440 N ALA A 109 0.619 6.460 3.216 1.00 0.47 N ATOM 1441 CA ALA A 109 1.978 6.359 2.692 1.00 0.51 C ATOM 1442 C ALA A 109 2.778 5.269 3.402 1.00 0.49 C ATOM 1443 O ALA A 109 3.397 4.423 2.756 1.00 0.64 O ATOM 1444 CB ALA A 109 2.686 7.699 2.816 1.00 0.62 C ATOM 0 H ALA A 109 0.318 7.414 3.417 1.00 0.47 H new ATOM 0 HA ALA A 109 1.910 6.084 1.639 1.00 0.51 H new ATOM 0 HB1 ALA A 109 3.699 7.613 2.422 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.139 8.453 2.250 1.00 0.62 H new ATOM 0 HB3 ALA A 109 2.728 7.993 3.865 1.00 0.62 H new ATOM 1450 N HIS A 110 2.764 5.296 4.730 1.00 0.44 N ATOM 1451 CA HIS A 110 3.494 4.311 5.517 1.00 0.53 C ATOM 1452 C HIS A 110 2.843 2.935 5.414 1.00 0.60 C ATOM 1453 O HIS A 110 3.500 1.953 5.068 1.00 0.86 O ATOM 1454 CB HIS A 110 3.563 4.746 6.982 1.00 0.57 C ATOM 1455 CG HIS A 110 4.742 4.186 7.717 1.00 1.03 C ATOM 1456 ND1 HIS A 110 5.252 2.929 7.474 1.00 1.58 N ATOM 1457 CD2 HIS A 110 5.513 4.722 8.693 1.00 1.90 C ATOM 1458 CE1 HIS A 110 6.284 2.713 8.270 1.00 1.93 C ATOM 1459 NE2 HIS A 110 6.464 3.785 9.018 1.00 2.16 N ATOM 0 H HIS A 110 2.257 5.987 5.282 1.00 0.44 H new ATOM 0 HA HIS A 110 4.505 4.244 5.116 1.00 0.53 H new ATOM 0 HB2 HIS A 110 3.600 5.834 7.028 1.00 0.57 H new ATOM 0 HB3 HIS A 110 2.649 4.436 7.488 1.00 0.57 H new ATOM 0 HD2 HIS A 110 5.401 5.702 9.133 1.00 1.90 H new ATOM 0 HE1 HIS A 110 6.879 1.812 8.303 1.00 1.93 H new ATOM 0 HE2 HIS A 110 7.192 3.900 9.724 1.00 2.16 H new ATOM 1468 N MET A 111 1.550 2.868 5.721 1.00 0.50 N ATOM 1469 CA MET A 111 0.811 1.611 5.669 1.00 0.59 C ATOM 1470 C MET A 111 1.093 0.844 4.381 1.00 0.59 C ATOM 1471 O MET A 111 1.400 -0.347 4.415 1.00 0.78 O ATOM 1472 CB MET A 111 -0.688 1.877 5.797 1.00 0.63 C ATOM 1473 CG MET A 111 -1.144 2.106 7.227 1.00 1.24 C ATOM 1474 SD MET A 111 -0.715 0.737 8.318 1.00 2.04 S ATOM 1475 CE MET A 111 -1.367 -0.641 7.381 1.00 1.59 C ATOM 0 H MET A 111 0.992 3.672 6.009 1.00 0.50 H new ATOM 0 HA MET A 111 1.145 0.997 6.505 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.946 2.750 5.198 1.00 0.63 H new ATOM 0 HB3 MET A 111 -1.236 1.031 5.381 1.00 0.63 H new ATOM 0 HG2 MET A 111 -0.693 3.023 7.606 1.00 1.24 H new ATOM 0 HG3 MET A 111 -2.224 2.253 7.241 1.00 1.24 H new ATOM 0 HE1 MET A 111 -1.360 -1.538 8.000 1.00 1.59 H new ATOM 0 HE2 MET A 111 -2.389 -0.421 7.073 1.00 1.59 H new ATOM 0 HE3 MET A 111 -0.750 -0.805 6.498 1.00 1.59 H new ATOM 1485 N VAL A 112 0.984 1.526 3.247 1.00 0.51 N ATOM 1486 CA VAL A 112 1.229 0.891 1.956 1.00 0.58 C ATOM 1487 C VAL A 112 2.621 0.266 1.900 1.00 0.64 C ATOM 1488 O VAL A 112 2.765 -0.951 1.763 1.00 0.78 O ATOM 1489 CB VAL A 112 1.083 1.897 0.798 1.00 0.59 C ATOM 1490 CG1 VAL A 112 1.118 1.175 -0.541 1.00 1.46 C ATOM 1491 CG2 VAL A 112 -0.199 2.704 0.945 1.00 1.42 C ATOM 0 H VAL A 112 0.729 2.512 3.194 1.00 0.51 H new ATOM 0 HA VAL A 112 0.480 0.107 1.845 1.00 0.58 H new ATOM 0 HB VAL A 112 1.924 2.590 0.835 1.00 0.59 H new ATOM 0 HG11 VAL A 112 1.014 1.900 -1.348 1.00 1.46 H new ATOM 0 HG12 VAL A 112 2.067 0.649 -0.646 1.00 1.46 H new ATOM 0 HG13 VAL A 112 0.299 0.458 -0.589 1.00 1.46 H new ATOM 0 HG21 VAL A 112 -0.283 3.408 0.117 1.00 1.42 H new ATOM 0 HG22 VAL A 112 -1.056 2.030 0.936 1.00 1.42 H new ATOM 0 HG23 VAL A 112 -0.178 3.252 1.887 1.00 1.42 H new ATOM 1495 N VAL A 113 3.643 1.110 2.005 1.00 0.61 N ATOM 1496 CA VAL A 113 5.028 0.655 1.962 1.00 0.72 C ATOM 1497 C VAL A 113 5.298 -0.434 3.001 1.00 0.82 C ATOM 1498 O VAL A 113 6.094 -1.343 2.764 1.00 1.03 O ATOM 1499 CB VAL A 113 6.007 1.826 2.188 1.00 0.73 C ATOM 1500 CG1 VAL A 113 5.818 2.429 3.572 1.00 0.97 C ATOM 1501 CG2 VAL A 113 7.445 1.368 1.987 1.00 0.63 C ATOM 0 H VAL A 113 3.537 2.118 2.121 1.00 0.61 H new ATOM 0 HA VAL A 113 5.189 0.238 0.968 1.00 0.72 H new ATOM 0 HB VAL A 113 5.790 2.600 1.452 1.00 0.73 H new ATOM 0 HG11 VAL A 113 6.519 3.253 3.709 1.00 0.97 H new ATOM 0 HG12 VAL A 113 4.798 2.800 3.671 1.00 0.97 H new ATOM 0 HG13 VAL A 113 6.002 1.667 4.329 1.00 0.97 H new ATOM 0 HG21 VAL A 113 8.121 2.208 2.151 1.00 0.63 H new ATOM 0 HG22 VAL A 113 7.676 0.573 2.696 1.00 0.63 H new ATOM 0 HG23 VAL A 113 7.569 0.995 0.970 1.00 0.63 H new ATOM 1505 N HIS A 114 4.636 -0.336 4.150 1.00 0.75 N ATOM 1506 CA HIS A 114 4.820 -1.315 5.217 1.00 0.85 C ATOM 1507 C HIS A 114 4.116 -2.629 4.883 1.00 0.96 C ATOM 1508 O HIS A 114 4.683 -3.709 5.050 1.00 1.08 O ATOM 1509 CB HIS A 114 4.313 -0.746 6.554 1.00 0.89 C ATOM 1510 CG HIS A 114 3.203 -1.538 7.183 1.00 0.99 C ATOM 1511 ND1 HIS A 114 1.907 -1.520 6.714 1.00 1.39 N ATOM 1512 CD2 HIS A 114 3.207 -2.384 8.239 1.00 1.57 C ATOM 1513 CE1 HIS A 114 1.163 -2.322 7.452 1.00 1.30 C ATOM 1514 NE2 HIS A 114 1.927 -2.858 8.385 1.00 1.36 N ATOM 0 H HIS A 114 3.971 0.407 4.366 1.00 0.75 H new ATOM 0 HA HIS A 114 5.886 -1.525 5.311 1.00 0.85 H new ATOM 0 HB2 HIS A 114 5.148 -0.694 7.253 1.00 0.89 H new ATOM 0 HB3 HIS A 114 3.968 0.275 6.393 1.00 0.89 H new ATOM 0 HD1 HIS A 114 1.575 -0.972 5.920 1.00 1.39 H new ATOM 0 HD2 HIS A 114 4.058 -2.639 8.853 1.00 1.57 H new ATOM 0 HE1 HIS A 114 0.108 -2.508 7.316 1.00 1.30 H new ATOM 1523 N GLY A 115 2.878 -2.527 4.418 1.00 1.03 N ATOM 1524 CA GLY A 115 2.113 -3.711 4.077 1.00 1.18 C ATOM 1525 C GLY A 115 2.474 -4.286 2.719 1.00 1.20 C ATOM 1526 O GLY A 115 1.887 -5.280 2.290 1.00 1.36 O ATOM 0 H GLY A 115 2.389 -1.644 4.271 1.00 1.03 H new ATOM 0 HA2 GLY A 115 2.274 -4.472 4.841 1.00 1.18 H new ATOM 0 HA3 GLY A 115 1.051 -3.466 4.090 1.00 1.18 H new ATOM 1530 N SER A 116 3.435 -3.669 2.037 1.00 1.17 N ATOM 1531 CA SER A 116 3.853 -4.144 0.723 1.00 1.26 C ATOM 1532 C SER A 116 5.081 -5.045 0.818 1.00 1.36 C ATOM 1533 O SER A 116 5.146 -6.086 0.164 1.00 1.63 O ATOM 1534 CB SER A 116 4.138 -2.961 -0.205 1.00 1.31 C ATOM 1535 OG SER A 116 4.694 -1.870 0.509 1.00 1.72 O ATOM 0 H SER A 116 3.935 -2.845 2.370 1.00 1.17 H new ATOM 0 HA SER A 116 3.035 -4.734 0.309 1.00 1.26 H new ATOM 0 HB2 SER A 116 4.825 -3.271 -0.993 1.00 1.31 H new ATOM 0 HB3 SER A 116 3.215 -2.647 -0.692 1.00 1.31 H new ATOM 0 HG SER A 116 3.986 -1.408 1.004 1.00 1.72 H new ATOM 1541 N LEU A 117 6.057 -4.640 1.623 1.00 1.28 N ATOM 1542 CA LEU A 117 7.282 -5.417 1.782 1.00 1.49 C ATOM 1543 C LEU A 117 7.116 -6.525 2.817 1.00 1.69 C ATOM 1544 O LEU A 117 7.376 -7.694 2.537 1.00 1.94 O ATOM 1545 CB LEU A 117 8.440 -4.505 2.179 1.00 1.49 C ATOM 1546 CG LEU A 117 9.753 -4.779 1.443 1.00 1.78 C ATOM 1547 CD1 LEU A 117 10.323 -3.492 0.873 1.00 2.07 C ATOM 1548 CD2 LEU A 117 10.756 -5.448 2.369 1.00 2.38 C ATOM 0 H LEU A 117 6.025 -3.782 2.174 1.00 1.28 H new ATOM 0 HA LEU A 117 7.502 -5.884 0.822 1.00 1.49 H new ATOM 0 HB2 LEU A 117 8.148 -3.470 1.999 1.00 1.49 H new ATOM 0 HB3 LEU A 117 8.612 -4.605 3.251 1.00 1.49 H new ATOM 0 HG LEU A 117 9.548 -5.458 0.615 1.00 1.78 H new ATOM 0 HD11 LEU A 117 11.257 -3.706 0.353 1.00 2.07 H new ATOM 0 HD12 LEU A 117 9.610 -3.057 0.173 1.00 2.07 H new ATOM 0 HD13 LEU A 117 10.512 -2.788 1.683 1.00 2.07 H new ATOM 0 HD21 LEU A 117 11.683 -5.635 1.827 1.00 2.38 H new ATOM 0 HD22 LEU A 117 10.957 -4.796 3.219 1.00 2.38 H new ATOM 0 HD23 LEU A 117 10.348 -6.394 2.726 1.00 2.38 H new ATOM 1554 N HIS A 118 6.691 -6.151 4.018 1.00 1.70 N ATOM 1555 CA HIS A 118 6.501 -7.114 5.098 1.00 2.04 C ATOM 1556 C HIS A 118 5.562 -8.245 4.683 1.00 2.25 C ATOM 1557 O HIS A 118 5.561 -9.315 5.292 1.00 2.60 O ATOM 1558 CB HIS A 118 5.949 -6.414 6.341 1.00 2.10 C ATOM 1559 CG HIS A 118 7.013 -5.869 7.242 1.00 2.30 C ATOM 1560 ND1 HIS A 118 7.758 -4.748 6.938 1.00 2.63 N ATOM 1561 CD2 HIS A 118 7.454 -6.295 8.449 1.00 2.93 C ATOM 1562 CE1 HIS A 118 8.611 -4.510 7.918 1.00 3.13 C ATOM 1563 NE2 HIS A 118 8.448 -5.434 8.847 1.00 3.28 N ATOM 0 H HIS A 118 6.471 -5.187 4.269 1.00 1.70 H new ATOM 0 HA HIS A 118 7.474 -7.548 5.327 1.00 2.04 H new ATOM 0 HB2 HIS A 118 5.296 -5.599 6.029 1.00 2.10 H new ATOM 0 HB3 HIS A 118 5.335 -7.118 6.902 1.00 2.10 H new ATOM 0 HD2 HIS A 118 7.092 -7.152 8.997 1.00 2.93 H new ATOM 0 HE1 HIS A 118 9.321 -3.697 7.953 1.00 3.13 H new ATOM 0 HE2 HIS A 118 8.974 -5.498 9.718 1.00 3.28 H new ATOM 1572 N LEU A 119 4.752 -8.002 3.657 1.00 2.15 N ATOM 1573 CA LEU A 119 3.801 -9.002 3.186 1.00 2.45 C ATOM 1574 C LEU A 119 4.377 -9.855 2.055 1.00 2.53 C ATOM 1575 O LEU A 119 4.182 -11.070 2.033 1.00 2.98 O ATOM 1576 CB LEU A 119 2.507 -8.319 2.723 1.00 2.52 C ATOM 1577 CG LEU A 119 1.504 -9.212 1.975 1.00 2.47 C ATOM 1578 CD1 LEU A 119 1.939 -9.416 0.532 1.00 3.30 C ATOM 1579 CD2 LEU A 119 1.333 -10.553 2.674 1.00 2.27 C ATOM 0 H LEU A 119 4.735 -7.124 3.138 1.00 2.15 H new ATOM 0 HA LEU A 119 3.585 -9.668 4.021 1.00 2.45 H new ATOM 0 HB2 LEU A 119 2.008 -7.899 3.597 1.00 2.52 H new ATOM 0 HB3 LEU A 119 2.772 -7.483 2.076 1.00 2.52 H new ATOM 0 HG LEU A 119 0.539 -8.705 1.978 1.00 2.47 H new ATOM 0 HD11 LEU A 119 1.216 -10.051 0.020 1.00 3.30 H new ATOM 0 HD12 LEU A 119 1.995 -8.451 0.029 1.00 3.30 H new ATOM 0 HD13 LEU A 119 2.919 -9.893 0.511 1.00 3.30 H new ATOM 0 HD21 LEU A 119 0.618 -11.163 2.122 1.00 2.27 H new ATOM 0 HD22 LEU A 119 2.293 -11.067 2.714 1.00 2.27 H new ATOM 0 HD23 LEU A 119 0.965 -10.391 3.687 1.00 2.27 H new ATOM 1585 N LEU A 120 5.061 -9.225 1.104 1.00 2.25 N ATOM 1586 CA LEU A 120 5.619 -9.963 -0.028 1.00 2.47 C ATOM 1587 C LEU A 120 7.120 -9.736 -0.190 1.00 2.57 C ATOM 1588 O LEU A 120 7.843 -10.636 -0.617 1.00 3.07 O ATOM 1589 CB LEU A 120 4.890 -9.576 -1.318 1.00 2.62 C ATOM 1590 CG LEU A 120 5.262 -8.204 -1.895 1.00 2.70 C ATOM 1591 CD1 LEU A 120 6.006 -8.359 -3.213 1.00 3.20 C ATOM 1592 CD2 LEU A 120 4.020 -7.345 -2.081 1.00 2.88 C ATOM 0 H LEU A 120 5.241 -8.221 1.092 1.00 2.25 H new ATOM 0 HA LEU A 120 5.472 -11.024 0.176 1.00 2.47 H new ATOM 0 HB2 LEU A 120 5.093 -10.336 -2.072 1.00 2.62 H new ATOM 0 HB3 LEU A 120 3.817 -9.593 -1.129 1.00 2.62 H new ATOM 0 HG LEU A 120 5.922 -7.704 -1.186 1.00 2.70 H new ATOM 0 HD11 LEU A 120 6.260 -7.374 -3.605 1.00 3.20 H new ATOM 0 HD12 LEU A 120 6.919 -8.932 -3.050 1.00 3.20 H new ATOM 0 HD13 LEU A 120 5.372 -8.882 -3.929 1.00 3.20 H new ATOM 0 HD21 LEU A 120 4.306 -6.376 -2.491 1.00 2.88 H new ATOM 0 HD22 LEU A 120 3.334 -7.841 -2.767 1.00 2.88 H new ATOM 0 HD23 LEU A 120 3.530 -7.201 -1.118 1.00 2.88 H new ATOM 1598 N GLY A 121 7.586 -8.535 0.130 1.00 2.56 N ATOM 1599 CA GLY A 121 8.998 -8.238 -0.017 1.00 3.27 C ATOM 1600 C GLY A 121 9.359 -7.942 -1.459 1.00 3.49 C ATOM 1601 O GLY A 121 10.040 -8.731 -2.114 1.00 4.12 O ATOM 0 H GLY A 121 7.017 -7.767 0.486 1.00 2.56 H new ATOM 0 HA2 GLY A 121 9.257 -7.382 0.606 1.00 3.27 H new ATOM 0 HA3 GLY A 121 9.587 -9.083 0.340 1.00 3.27 H new ATOM 1605 N TYR A 122 8.884 -6.806 -1.958 1.00 3.41 N ATOM 1606 CA TYR A 122 9.135 -6.400 -3.339 1.00 4.05 C ATOM 1607 C TYR A 122 10.567 -5.901 -3.551 1.00 4.04 C ATOM 1608 O TYR A 122 10.861 -5.266 -4.564 1.00 4.29 O ATOM 1609 CB TYR A 122 8.131 -5.324 -3.776 1.00 4.92 C ATOM 1610 CG TYR A 122 8.073 -4.112 -2.867 1.00 4.99 C ATOM 1611 CD1 TYR A 122 7.340 -4.135 -1.687 1.00 5.07 C ATOM 1612 CD2 TYR A 122 8.744 -2.940 -3.195 1.00 5.29 C ATOM 1613 CE1 TYR A 122 7.280 -3.030 -0.861 1.00 5.49 C ATOM 1614 CE2 TYR A 122 8.688 -1.830 -2.372 1.00 5.72 C ATOM 1615 CZ TYR A 122 7.955 -1.881 -1.207 1.00 5.83 C ATOM 1616 OH TYR A 122 7.896 -0.779 -0.386 1.00 6.50 O ATOM 0 H TYR A 122 8.319 -6.145 -1.424 1.00 3.41 H new ATOM 0 HA TYR A 122 9.005 -7.288 -3.958 1.00 4.05 H new ATOM 0 HB2 TYR A 122 8.386 -4.995 -4.783 1.00 4.92 H new ATOM 0 HB3 TYR A 122 7.138 -5.771 -3.828 1.00 4.92 H new ATOM 0 HD1 TYR A 122 6.808 -5.033 -1.411 1.00 5.07 H new ATOM 0 HD2 TYR A 122 9.319 -2.895 -4.108 1.00 5.29 H new ATOM 0 HE1 TYR A 122 6.706 -3.067 0.053 1.00 5.49 H new ATOM 0 HE2 TYR A 122 9.216 -0.928 -2.641 1.00 5.72 H new ATOM 0 HH TYR A 122 8.428 -0.053 -0.774 1.00 6.50 H new ATOM 1626 N ASP A 123 11.458 -6.196 -2.607 1.00 4.20 N ATOM 1627 CA ASP A 123 12.852 -5.781 -2.718 1.00 4.65 C ATOM 1628 C ASP A 123 13.701 -6.904 -3.312 1.00 4.02 C ATOM 1629 O ASP A 123 14.814 -7.162 -2.854 1.00 4.67 O ATOM 1630 CB ASP A 123 13.397 -5.386 -1.344 1.00 5.43 C ATOM 1631 CG ASP A 123 14.733 -4.675 -1.434 1.00 6.23 C ATOM 1632 OD1 ASP A 123 15.386 -4.767 -2.495 1.00 6.57 O ATOM 1633 OD2 ASP A 123 15.128 -4.024 -0.443 1.00 6.82 O ATOM 0 H ASP A 123 11.239 -6.719 -1.759 1.00 4.20 H new ATOM 0 HA ASP A 123 12.902 -4.918 -3.382 1.00 4.65 H new ATOM 0 HB2 ASP A 123 12.677 -4.739 -0.843 1.00 5.43 H new ATOM 0 HB3 ASP A 123 13.505 -6.279 -0.729 1.00 5.43 H new ATOM 1638 N HIS A 124 13.164 -7.572 -4.328 1.00 2.97 N ATOM 1639 CA HIS A 124 13.869 -8.673 -4.979 1.00 2.45 C ATOM 1640 C HIS A 124 14.679 -8.187 -6.177 1.00 2.10 C ATOM 1641 O HIS A 124 14.654 -7.005 -6.512 1.00 2.45 O ATOM 1642 CB HIS A 124 12.882 -9.752 -5.427 1.00 2.23 C ATOM 1643 CG HIS A 124 11.861 -9.267 -6.411 1.00 2.36 C ATOM 1644 ND1 HIS A 124 11.853 -9.645 -7.738 1.00 2.46 N ATOM 1645 CD2 HIS A 124 10.805 -8.434 -6.256 1.00 2.98 C ATOM 1646 CE1 HIS A 124 10.839 -9.065 -8.355 1.00 2.83 C ATOM 1647 NE2 HIS A 124 10.187 -8.325 -7.477 1.00 3.06 N ATOM 0 H HIS A 124 12.244 -7.371 -4.719 1.00 2.97 H new ATOM 0 HA HIS A 124 14.558 -9.097 -4.249 1.00 2.45 H new ATOM 0 HB2 HIS A 124 13.438 -10.578 -5.871 1.00 2.23 H new ATOM 0 HB3 HIS A 124 12.369 -10.148 -4.551 1.00 2.23 H new ATOM 0 HD2 HIS A 124 10.504 -7.946 -5.341 1.00 2.98 H new ATOM 0 HE1 HIS A 124 10.586 -9.177 -9.399 1.00 2.83 H new ATOM 0 HE2 HIS A 124 9.359 -7.763 -7.674 1.00 3.06 H new ATOM 1656 N ILE A 125 15.392 -9.122 -6.808 1.00 1.91 N ATOM 1657 CA ILE A 125 16.229 -8.834 -7.976 1.00 2.11 C ATOM 1658 C ILE A 125 17.096 -7.593 -7.771 1.00 2.10 C ATOM 1659 O ILE A 125 16.597 -6.491 -7.549 1.00 1.90 O ATOM 1660 CB ILE A 125 15.394 -8.674 -9.264 1.00 2.32 C ATOM 1661 CG1 ILE A 125 14.322 -7.599 -9.094 1.00 2.52 C ATOM 1662 CG2 ILE A 125 14.759 -10.002 -9.647 1.00 2.86 C ATOM 1663 CD1 ILE A 125 13.610 -7.255 -10.384 1.00 3.27 C ATOM 0 H ILE A 125 15.406 -10.102 -6.524 1.00 1.91 H new ATOM 0 HA ILE A 125 16.883 -9.698 -8.092 1.00 2.11 H new ATOM 0 HB ILE A 125 16.062 -8.359 -10.066 1.00 2.32 H new ATOM 0 HG12 ILE A 125 13.589 -7.939 -8.362 1.00 2.52 H new ATOM 0 HG13 ILE A 125 14.782 -6.698 -8.689 1.00 2.52 H new ATOM 0 HG21 ILE A 125 14.173 -9.876 -10.557 1.00 2.86 H new ATOM 0 HG22 ILE A 125 15.540 -10.743 -9.818 1.00 2.86 H new ATOM 0 HG23 ILE A 125 14.109 -10.340 -8.840 1.00 2.86 H new ATOM 0 HD11 ILE A 125 12.862 -6.486 -10.193 1.00 3.27 H new ATOM 0 HD12 ILE A 125 14.333 -6.885 -11.111 1.00 3.27 H new ATOM 0 HD13 ILE A 125 13.122 -8.146 -10.779 1.00 3.27 H new ATOM 1667 N GLU A 126 18.406 -7.787 -7.847 1.00 2.54 N ATOM 1668 CA GLU A 126 19.354 -6.695 -7.667 1.00 2.75 C ATOM 1669 C GLU A 126 19.591 -5.933 -8.972 1.00 2.70 C ATOM 1670 O GLU A 126 20.440 -5.043 -9.030 1.00 2.83 O ATOM 1671 CB GLU A 126 20.683 -7.233 -7.135 1.00 3.67 C ATOM 1672 CG GLU A 126 21.237 -8.394 -7.946 1.00 4.39 C ATOM 1673 CD GLU A 126 20.986 -9.736 -7.287 1.00 5.41 C ATOM 1674 OE1 GLU A 126 21.353 -9.895 -6.103 1.00 5.87 O ATOM 1675 OE2 GLU A 126 20.423 -10.629 -7.954 1.00 6.01 O ATOM 0 H GLU A 126 18.837 -8.693 -8.033 1.00 2.54 H new ATOM 0 HA GLU A 126 18.925 -6.002 -6.944 1.00 2.75 H new ATOM 0 HB2 GLU A 126 21.415 -6.425 -7.125 1.00 3.67 H new ATOM 0 HB3 GLU A 126 20.548 -7.554 -6.102 1.00 3.67 H new ATOM 0 HG2 GLU A 126 20.784 -8.389 -8.937 1.00 4.39 H new ATOM 0 HG3 GLU A 126 22.309 -8.256 -8.085 1.00 4.39 H new ATOM 1682 N ASP A 127 18.854 -6.291 -10.021 1.00 2.79 N ATOM 1683 CA ASP A 127 19.013 -5.640 -11.317 1.00 3.14 C ATOM 1684 C ASP A 127 18.111 -4.415 -11.465 1.00 2.88 C ATOM 1685 O ASP A 127 18.593 -3.282 -11.510 1.00 3.08 O ATOM 1686 CB ASP A 127 18.721 -6.632 -12.442 1.00 3.66 C ATOM 1687 CG ASP A 127 19.602 -7.863 -12.373 1.00 4.67 C ATOM 1688 OD1 ASP A 127 19.207 -8.839 -11.701 1.00 5.29 O ATOM 1689 OD2 ASP A 127 20.688 -7.851 -12.990 1.00 5.15 O ATOM 0 H ASP A 127 18.145 -7.024 -9.999 1.00 2.79 H new ATOM 0 HA ASP A 127 20.046 -5.299 -11.381 1.00 3.14 H new ATOM 0 HB2 ASP A 127 17.675 -6.935 -12.393 1.00 3.66 H new ATOM 0 HB3 ASP A 127 18.866 -6.139 -13.403 1.00 3.66 H new ATOM 1694 N ASP A 128 16.805 -4.647 -11.572 1.00 2.70 N ATOM 1695 CA ASP A 128 15.847 -3.558 -11.752 1.00 2.87 C ATOM 1696 C ASP A 128 15.194 -3.121 -10.440 1.00 2.37 C ATOM 1697 O ASP A 128 15.585 -2.118 -9.845 1.00 2.51 O ATOM 1698 CB ASP A 128 14.770 -3.970 -12.759 1.00 3.34 C ATOM 1699 CG ASP A 128 15.061 -3.458 -14.156 1.00 3.82 C ATOM 1700 OD1 ASP A 128 16.250 -3.243 -14.474 1.00 4.30 O ATOM 1701 OD2 ASP A 128 14.100 -3.269 -14.932 1.00 4.15 O ATOM 0 H ASP A 128 16.386 -5.576 -11.537 1.00 2.70 H new ATOM 0 HA ASP A 128 16.405 -2.702 -12.132 1.00 2.87 H new ATOM 0 HB2 ASP A 128 14.694 -5.057 -12.782 1.00 3.34 H new ATOM 0 HB3 ASP A 128 13.803 -3.590 -12.429 1.00 3.34 H new ATOM 1706 N GLU A 129 14.174 -3.868 -10.016 1.00 2.02 N ATOM 1707 CA GLU A 129 13.426 -3.555 -8.796 1.00 1.94 C ATOM 1708 C GLU A 129 14.331 -3.079 -7.662 1.00 1.62 C ATOM 1709 O GLU A 129 13.951 -2.208 -6.885 1.00 1.65 O ATOM 1710 CB GLU A 129 12.625 -4.776 -8.339 1.00 2.14 C ATOM 1711 CG GLU A 129 11.753 -4.511 -7.123 1.00 3.04 C ATOM 1712 CD GLU A 129 10.513 -3.706 -7.458 1.00 4.10 C ATOM 1713 OE1 GLU A 129 9.778 -4.106 -8.384 1.00 4.68 O ATOM 1714 OE2 GLU A 129 10.279 -2.674 -6.794 1.00 4.72 O ATOM 0 H GLU A 129 13.844 -4.701 -10.504 1.00 2.02 H new ATOM 0 HA GLU A 129 12.748 -2.737 -9.040 1.00 1.94 H new ATOM 0 HB2 GLU A 129 11.994 -5.115 -9.161 1.00 2.14 H new ATOM 0 HB3 GLU A 129 13.315 -5.588 -8.111 1.00 2.14 H new ATOM 0 HG2 GLU A 129 11.456 -5.461 -6.680 1.00 3.04 H new ATOM 0 HG3 GLU A 129 12.336 -3.978 -6.372 1.00 3.04 H new ATOM 1721 N ALA A 130 15.524 -3.650 -7.566 1.00 1.57 N ATOM 1722 CA ALA A 130 16.462 -3.267 -6.514 1.00 1.56 C ATOM 1723 C ALA A 130 16.637 -1.751 -6.445 1.00 1.41 C ATOM 1724 O ALA A 130 16.106 -1.095 -5.546 1.00 1.33 O ATOM 1725 CB ALA A 130 17.801 -3.949 -6.734 1.00 1.92 C ATOM 0 H ALA A 130 15.865 -4.375 -8.197 1.00 1.57 H new ATOM 0 HA ALA A 130 16.050 -3.594 -5.559 1.00 1.56 H new ATOM 0 HB1 ALA A 130 18.493 -3.656 -5.944 1.00 1.92 H new ATOM 0 HB2 ALA A 130 17.666 -5.030 -6.716 1.00 1.92 H new ATOM 0 HB3 ALA A 130 18.207 -3.650 -7.701 1.00 1.92 H new ATOM 1731 N GLU A 131 17.383 -1.200 -7.397 1.00 1.46 N ATOM 1732 CA GLU A 131 17.628 0.239 -7.443 1.00 1.46 C ATOM 1733 C GLU A 131 16.318 1.019 -7.470 1.00 1.38 C ATOM 1734 O GLU A 131 16.106 1.930 -6.668 1.00 1.37 O ATOM 1735 CB GLU A 131 18.470 0.594 -8.671 1.00 1.66 C ATOM 1736 CG GLU A 131 19.968 0.504 -8.428 1.00 1.92 C ATOM 1737 CD GLU A 131 20.779 0.997 -9.610 1.00 2.55 C ATOM 1738 OE1 GLU A 131 20.755 0.330 -10.666 1.00 2.84 O ATOM 1739 OE2 GLU A 131 21.438 2.049 -9.481 1.00 3.30 O ATOM 0 H GLU A 131 17.829 -1.727 -8.148 1.00 1.46 H new ATOM 0 HA GLU A 131 18.174 0.516 -6.541 1.00 1.46 H new ATOM 0 HB2 GLU A 131 18.202 -0.074 -9.490 1.00 1.66 H new ATOM 0 HB3 GLU A 131 18.222 1.606 -8.991 1.00 1.66 H new ATOM 0 HG2 GLU A 131 20.225 1.090 -7.545 1.00 1.92 H new ATOM 0 HG3 GLU A 131 20.236 -0.530 -8.214 1.00 1.92 H new ATOM 1746 N GLU A 132 15.439 0.651 -8.399 1.00 1.44 N ATOM 1747 CA GLU A 132 14.145 1.310 -8.537 1.00 1.53 C ATOM 1748 C GLU A 132 13.422 1.378 -7.195 1.00 1.29 C ATOM 1749 O GLU A 132 13.060 2.457 -6.727 1.00 1.22 O ATOM 1750 CB GLU A 132 13.279 0.573 -9.560 1.00 1.86 C ATOM 1751 CG GLU A 132 13.398 1.127 -10.971 1.00 2.46 C ATOM 1752 CD GLU A 132 14.487 0.443 -11.775 1.00 2.96 C ATOM 1753 OE1 GLU A 132 15.653 0.454 -11.328 1.00 3.37 O ATOM 1754 OE2 GLU A 132 14.174 -0.104 -12.853 1.00 3.44 O ATOM 0 H GLU A 132 15.601 -0.102 -9.068 1.00 1.44 H new ATOM 0 HA GLU A 132 14.320 2.328 -8.886 1.00 1.53 H new ATOM 0 HB2 GLU A 132 13.558 -0.481 -9.568 1.00 1.86 H new ATOM 0 HB3 GLU A 132 12.237 0.624 -9.245 1.00 1.86 H new ATOM 0 HG2 GLU A 132 12.444 1.010 -11.485 1.00 2.46 H new ATOM 0 HG3 GLU A 132 13.605 2.196 -10.922 1.00 2.46 H new ATOM 1761 N MET A 133 13.220 0.218 -6.578 1.00 1.28 N ATOM 1762 CA MET A 133 12.548 0.147 -5.287 1.00 1.23 C ATOM 1763 C MET A 133 13.306 0.960 -4.244 1.00 0.98 C ATOM 1764 O MET A 133 12.710 1.711 -3.474 1.00 0.92 O ATOM 1765 CB MET A 133 12.426 -1.308 -4.827 1.00 1.53 C ATOM 1766 CG MET A 133 11.365 -1.525 -3.760 1.00 1.39 C ATOM 1767 SD MET A 133 11.831 -0.839 -2.158 1.00 2.20 S ATOM 1768 CE MET A 133 12.391 -2.313 -1.309 1.00 2.47 C ATOM 0 H MET A 133 13.512 -0.685 -6.952 1.00 1.28 H new ATOM 0 HA MET A 133 11.548 0.566 -5.399 1.00 1.23 H new ATOM 0 HB2 MET A 133 12.195 -1.934 -5.689 1.00 1.53 H new ATOM 0 HB3 MET A 133 13.390 -1.640 -4.441 1.00 1.53 H new ATOM 0 HG2 MET A 133 10.430 -1.070 -4.087 1.00 1.39 H new ATOM 0 HG3 MET A 133 11.179 -2.593 -3.652 1.00 1.39 H new ATOM 0 HE1 MET A 133 12.391 -2.135 -0.234 1.00 2.47 H new ATOM 0 HE2 MET A 133 11.722 -3.142 -1.540 1.00 2.47 H new ATOM 0 HE3 MET A 133 13.401 -2.560 -1.636 1.00 2.47 H new ATOM 1778 N GLU A 134 14.628 0.808 -4.229 1.00 1.00 N ATOM 1779 CA GLU A 134 15.466 1.535 -3.282 1.00 0.98 C ATOM 1780 C GLU A 134 15.208 3.035 -3.378 1.00 0.85 C ATOM 1781 O GLU A 134 14.761 3.663 -2.416 1.00 0.92 O ATOM 1782 CB GLU A 134 16.945 1.238 -3.543 1.00 1.17 C ATOM 1783 CG GLU A 134 17.640 0.541 -2.385 1.00 1.00 C ATOM 1784 CD GLU A 134 18.095 1.510 -1.312 1.00 1.57 C ATOM 1785 OE1 GLU A 134 17.229 2.034 -0.579 1.00 2.40 O ATOM 1786 OE2 GLU A 134 19.317 1.744 -1.203 1.00 2.11 O ATOM 0 H GLU A 134 15.139 0.190 -4.859 1.00 1.00 H new ATOM 0 HA GLU A 134 15.212 1.203 -2.275 1.00 0.98 H new ATOM 0 HB2 GLU A 134 17.030 0.616 -4.434 1.00 1.17 H new ATOM 0 HB3 GLU A 134 17.462 2.173 -3.756 1.00 1.17 H new ATOM 0 HG2 GLU A 134 16.962 -0.190 -1.945 1.00 1.00 H new ATOM 0 HG3 GLU A 134 18.502 -0.010 -2.761 1.00 1.00 H new ATOM 1793 N SER A 135 15.482 3.600 -4.550 1.00 0.80 N ATOM 1794 CA SER A 135 15.273 5.025 -4.776 1.00 0.84 C ATOM 1795 C SER A 135 13.799 5.383 -4.627 1.00 0.80 C ATOM 1796 O SER A 135 13.448 6.336 -3.931 1.00 0.82 O ATOM 1797 CB SER A 135 15.767 5.420 -6.170 1.00 0.97 C ATOM 1798 OG SER A 135 16.808 4.562 -6.604 1.00 1.29 O ATOM 0 H SER A 135 15.848 3.094 -5.356 1.00 0.80 H new ATOM 0 HA SER A 135 15.843 5.576 -4.028 1.00 0.84 H new ATOM 0 HB2 SER A 135 14.939 5.379 -6.878 1.00 0.97 H new ATOM 0 HB3 SER A 135 16.123 6.450 -6.155 1.00 0.97 H new ATOM 0 HG SER A 135 17.105 4.834 -7.497 1.00 1.29 H new ATOM 1804 N LEU A 136 12.939 4.609 -5.283 1.00 0.81 N ATOM 1805 CA LEU A 136 11.497 4.839 -5.225 1.00 0.87 C ATOM 1806 C LEU A 136 11.009 4.880 -3.781 1.00 0.73 C ATOM 1807 O LEU A 136 10.465 5.886 -3.328 1.00 0.85 O ATOM 1808 CB LEU A 136 10.756 3.741 -5.996 1.00 0.98 C ATOM 1809 CG LEU A 136 9.247 3.953 -6.153 1.00 1.16 C ATOM 1810 CD1 LEU A 136 8.525 3.669 -4.845 1.00 1.17 C ATOM 1811 CD2 LEU A 136 8.951 5.367 -6.635 1.00 1.73 C ATOM 0 H LEU A 136 13.215 3.816 -5.862 1.00 0.81 H new ATOM 0 HA LEU A 136 11.288 5.804 -5.686 1.00 0.87 H new ATOM 0 HB2 LEU A 136 11.199 3.655 -6.988 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.922 2.790 -5.490 1.00 0.98 H new ATOM 0 HG LEU A 136 8.880 3.252 -6.903 1.00 1.16 H new ATOM 0 HD11 LEU A 136 7.455 3.826 -4.979 1.00 1.17 H new ATOM 0 HD12 LEU A 136 8.706 2.637 -4.546 1.00 1.17 H new ATOM 0 HD13 LEU A 136 8.896 4.341 -4.071 1.00 1.17 H new ATOM 0 HD21 LEU A 136 7.874 5.498 -6.740 1.00 1.73 H new ATOM 0 HD22 LEU A 136 9.335 6.086 -5.911 1.00 1.73 H new ATOM 0 HD23 LEU A 136 9.432 5.531 -7.599 1.00 1.73 H new ATOM 1817 N GLU A 137 11.210 3.781 -3.063 1.00 0.57 N ATOM 1818 CA GLU A 137 10.790 3.690 -1.670 1.00 0.51 C ATOM 1819 C GLU A 137 11.444 4.782 -0.835 1.00 0.52 C ATOM 1820 O GLU A 137 10.768 5.507 -0.105 1.00 0.53 O ATOM 1821 CB GLU A 137 11.138 2.315 -1.098 1.00 0.52 C ATOM 1822 CG GLU A 137 10.607 2.086 0.308 1.00 1.16 C ATOM 1823 CD GLU A 137 11.521 1.211 1.142 1.00 1.87 C ATOM 1824 OE1 GLU A 137 11.728 0.038 0.764 1.00 2.45 O ATOM 1825 OE2 GLU A 137 12.029 1.696 2.174 1.00 2.54 O ATOM 0 H GLU A 137 11.661 2.940 -3.423 1.00 0.57 H new ATOM 0 HA GLU A 137 9.709 3.826 -1.632 1.00 0.51 H new ATOM 0 HB2 GLU A 137 10.738 1.545 -1.758 1.00 0.52 H new ATOM 0 HB3 GLU A 137 12.222 2.198 -1.091 1.00 0.52 H new ATOM 0 HG2 GLU A 137 10.478 3.048 0.805 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.622 1.623 0.249 1.00 1.16 H new ATOM 1832 N THR A 138 12.760 4.898 -0.949 1.00 0.57 N ATOM 1833 CA THR A 138 13.503 5.906 -0.203 1.00 0.67 C ATOM 1834 C THR A 138 12.954 7.306 -0.476 1.00 0.69 C ATOM 1835 O THR A 138 12.994 8.179 0.391 1.00 0.77 O ATOM 1836 CB THR A 138 14.989 5.841 -0.572 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.617 4.744 0.067 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.759 7.089 -0.201 1.00 1.10 C ATOM 0 H THR A 138 13.335 4.308 -1.550 1.00 0.57 H new ATOM 0 HA THR A 138 13.388 5.698 0.861 1.00 0.67 H new ATOM 0 HB THR A 138 15.009 5.733 -1.656 1.00 0.82 H new ATOM 0 HG1 THR A 138 15.572 3.957 -0.515 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.803 6.972 -0.491 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.332 7.948 -0.719 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.698 7.248 0.876 1.00 1.10 H new ATOM 1843 N GLN A 139 12.454 7.517 -1.688 1.00 0.70 N ATOM 1844 CA GLN A 139 11.914 8.815 -2.077 1.00 0.79 C ATOM 1845 C GLN A 139 10.563 9.086 -1.419 1.00 0.67 C ATOM 1846 O GLN A 139 10.361 10.139 -0.816 1.00 0.67 O ATOM 1847 CB GLN A 139 11.783 8.897 -3.598 1.00 0.92 C ATOM 1848 CG GLN A 139 12.814 9.806 -4.246 1.00 1.04 C ATOM 1849 CD GLN A 139 12.633 11.261 -3.858 1.00 1.29 C ATOM 1850 OE1 GLN A 139 13.051 11.685 -2.782 1.00 2.28 O ATOM 1851 NE2 GLN A 139 12.007 12.035 -4.738 1.00 1.28 N ATOM 0 H GLN A 139 12.411 6.806 -2.418 1.00 0.70 H new ATOM 0 HA GLN A 139 12.610 9.579 -1.732 1.00 0.79 H new ATOM 0 HB2 GLN A 139 11.878 7.896 -4.018 1.00 0.92 H new ATOM 0 HB3 GLN A 139 10.785 9.255 -3.850 1.00 0.92 H new ATOM 0 HG2 GLN A 139 13.813 9.479 -3.959 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.747 9.711 -5.330 1.00 1.04 H new ATOM 0 HE21 GLN A 139 11.677 11.641 -5.619 1.00 1.28 H new ATOM 0 HE22 GLN A 139 11.857 13.023 -4.533 1.00 1.28 H new ATOM 1858 N ILE A 140 9.635 8.143 -1.545 1.00 0.60 N ATOM 1859 CA ILE A 140 8.307 8.310 -0.962 1.00 0.52 C ATOM 1860 C ILE A 140 8.350 8.194 0.559 1.00 0.47 C ATOM 1861 O ILE A 140 7.552 8.815 1.259 1.00 0.48 O ATOM 1862 CB ILE A 140 7.297 7.280 -1.515 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.461 7.115 -3.027 1.00 0.57 C ATOM 1864 CG2 ILE A 140 5.874 7.709 -1.186 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.634 5.987 -3.604 1.00 1.12 C ATOM 0 H ILE A 140 9.775 7.263 -2.041 1.00 0.60 H new ATOM 0 HA ILE A 140 7.976 9.310 -1.241 1.00 0.52 H new ATOM 0 HB ILE A 140 7.496 6.319 -1.041 1.00 0.49 H new ATOM 0 HG12 ILE A 140 7.183 8.047 -3.519 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.512 6.937 -3.253 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.172 6.975 -1.581 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.756 7.779 -0.105 1.00 0.52 H new ATOM 0 HG23 ILE A 140 5.674 8.681 -1.636 1.00 0.52 H new ATOM 0 HD11 ILE A 140 6.799 5.928 -4.680 1.00 1.12 H new ATOM 0 HD12 ILE A 140 6.928 5.046 -3.139 1.00 1.12 H new ATOM 0 HD13 ILE A 140 5.578 6.173 -3.409 1.00 1.12 H new ATOM 1869 N MET A 141 9.280 7.392 1.065 1.00 0.47 N ATOM 1870 CA MET A 141 9.416 7.197 2.505 1.00 0.51 C ATOM 1871 C MET A 141 10.296 8.273 3.141 1.00 0.62 C ATOM 1872 O MET A 141 9.858 8.994 4.037 1.00 0.71 O ATOM 1873 CB MET A 141 9.992 5.811 2.801 1.00 0.51 C ATOM 1874 CG MET A 141 8.964 4.694 2.706 1.00 0.53 C ATOM 1875 SD MET A 141 8.282 4.515 1.046 1.00 1.02 S ATOM 1876 CE MET A 141 6.701 5.336 1.236 1.00 0.44 C ATOM 0 H MET A 141 9.950 6.867 0.502 1.00 0.47 H new ATOM 0 HA MET A 141 8.421 7.276 2.942 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.804 5.607 2.103 1.00 0.51 H new ATOM 0 HB3 MET A 141 10.424 5.812 3.802 1.00 0.51 H new ATOM 0 HG2 MET A 141 9.426 3.754 3.008 1.00 0.53 H new ATOM 0 HG3 MET A 141 8.154 4.891 3.408 1.00 0.53 H new ATOM 0 HE1 MET A 141 6.160 5.307 0.290 1.00 0.44 H new ATOM 0 HE2 MET A 141 6.117 4.828 2.003 1.00 0.44 H new ATOM 0 HE3 MET A 141 6.863 6.373 1.530 1.00 0.44 H new ATOM 1886 N GLN A 142 11.543 8.363 2.685 1.00 0.66 N ATOM 1887 CA GLN A 142 12.488 9.338 3.224 1.00 0.79 C ATOM 1888 C GLN A 142 12.169 10.756 2.757 1.00 0.80 C ATOM 1889 O GLN A 142 12.403 11.723 3.481 1.00 0.85 O ATOM 1890 CB GLN A 142 13.917 8.968 2.822 1.00 0.90 C ATOM 1891 CG GLN A 142 14.969 9.429 3.818 1.00 1.34 C ATOM 1892 CD GLN A 142 16.357 9.493 3.213 1.00 1.47 C ATOM 1893 OE1 GLN A 142 16.636 10.335 2.358 1.00 1.64 O ATOM 1894 NE2 GLN A 142 17.237 8.602 3.654 1.00 1.85 N ATOM 0 H GLN A 142 11.922 7.773 1.944 1.00 0.66 H new ATOM 0 HA GLN A 142 12.397 9.315 4.310 1.00 0.79 H new ATOM 0 HB2 GLN A 142 13.985 7.886 2.709 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.136 9.404 1.847 1.00 0.90 H new ATOM 0 HG2 GLN A 142 14.697 10.414 4.198 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.979 8.750 4.670 1.00 1.34 H new ATOM 0 HE21 GLN A 142 16.963 7.922 4.363 1.00 1.85 H new ATOM 0 HE22 GLN A 142 18.187 8.597 3.283 1.00 1.85 H new ATOM 1901 N GLY A 143 11.641 10.878 1.543 1.00 0.79 N ATOM 1902 CA GLY A 143 11.308 12.188 1.007 1.00 0.84 C ATOM 1903 C GLY A 143 10.488 13.027 1.968 1.00 0.81 C ATOM 1904 O GLY A 143 10.521 14.256 1.912 1.00 1.05 O ATOM 0 H GLY A 143 11.438 10.096 0.921 1.00 0.79 H new ATOM 0 HA2 GLY A 143 12.228 12.719 0.762 1.00 0.84 H new ATOM 0 HA3 GLY A 143 10.754 12.064 0.077 1.00 0.84 H new ATOM 1908 N LEU A 144 9.747 12.363 2.848 1.00 0.75 N ATOM 1909 CA LEU A 144 8.914 13.058 3.823 1.00 0.72 C ATOM 1910 C LEU A 144 9.201 12.571 5.239 1.00 0.87 C ATOM 1911 O LEU A 144 9.256 13.363 6.180 1.00 1.01 O ATOM 1912 CB LEU A 144 7.433 12.859 3.490 1.00 0.62 C ATOM 1913 CG LEU A 144 7.098 12.889 1.997 1.00 0.66 C ATOM 1914 CD1 LEU A 144 7.208 11.495 1.400 1.00 0.58 C ATOM 1915 CD2 LEU A 144 5.706 13.459 1.775 1.00 0.81 C ATOM 0 H LEU A 144 9.706 11.346 2.907 1.00 0.75 H new ATOM 0 HA LEU A 144 9.153 14.120 3.774 1.00 0.72 H new ATOM 0 HB2 LEU A 144 7.109 11.903 3.901 1.00 0.62 H new ATOM 0 HB3 LEU A 144 6.855 13.635 3.993 1.00 0.62 H new ATOM 0 HG LEU A 144 7.817 13.536 1.494 1.00 0.66 H new ATOM 0 HD11 LEU A 144 6.967 11.534 0.338 1.00 0.58 H new ATOM 0 HD12 LEU A 144 8.225 11.124 1.528 1.00 0.58 H new ATOM 0 HD13 LEU A 144 6.512 10.826 1.906 1.00 0.58 H new ATOM 0 HD21 LEU A 144 5.484 13.473 0.708 1.00 0.81 H new ATOM 0 HD22 LEU A 144 4.972 12.839 2.290 1.00 0.81 H new ATOM 0 HD23 LEU A 144 5.662 14.475 2.168 1.00 0.81 H new ATOM 1921 N GLY A 145 9.382 11.263 5.384 1.00 0.91 N ATOM 1922 CA GLY A 145 9.660 10.694 6.689 1.00 1.11 C ATOM 1923 C GLY A 145 8.403 10.486 7.509 1.00 1.11 C ATOM 1924 O GLY A 145 7.840 11.439 8.047 1.00 1.24 O ATOM 0 H GLY A 145 9.341 10.587 4.621 1.00 0.91 H new ATOM 0 HA2 GLY A 145 10.171 9.739 6.565 1.00 1.11 H new ATOM 0 HA3 GLY A 145 10.340 11.351 7.231 1.00 1.11 H new ATOM 1928 N PHE A 146 7.961 9.237 7.604 1.00 1.15 N ATOM 1929 CA PHE A 146 6.761 8.908 8.363 1.00 1.25 C ATOM 1930 C PHE A 146 7.121 8.329 9.728 1.00 1.47 C ATOM 1931 O PHE A 146 6.603 8.774 10.749 1.00 99.99 O ATOM 1932 CB PHE A 146 5.899 7.913 7.585 1.00 1.63 C ATOM 1933 CG PHE A 146 5.677 8.305 6.153 1.00 1.09 C ATOM 1934 CD1 PHE A 146 5.327 9.606 5.824 1.00 1.74 C ATOM 1935 CD2 PHE A 146 5.819 7.376 5.135 1.00 1.15 C ATOM 1936 CE1 PHE A 146 5.123 9.971 4.508 1.00 1.65 C ATOM 1937 CE2 PHE A 146 5.616 7.736 3.816 1.00 1.15 C ATOM 1938 CZ PHE A 146 5.268 9.035 3.502 1.00 0.93 C ATOM 0 H PHE A 146 8.416 8.436 7.165 1.00 1.15 H new ATOM 0 HA PHE A 146 6.195 9.827 8.517 1.00 1.25 H new ATOM 0 HB2 PHE A 146 6.373 6.932 7.616 1.00 1.63 H new ATOM 0 HB3 PHE A 146 4.933 7.816 8.081 1.00 1.63 H new ATOM 0 HD1 PHE A 146 5.213 10.342 6.606 1.00 1.74 H new ATOM 0 HD2 PHE A 146 6.091 6.359 5.375 1.00 1.15 H new ATOM 0 HE1 PHE A 146 4.850 10.987 4.265 1.00 1.65 H new ATOM 0 HE2 PHE A 146 5.729 7.002 3.032 1.00 1.15 H new ATOM 0 HZ PHE A 146 5.109 9.319 2.472 1.00 0.93 H new