USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 911 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 2 HIS : no HE2:sc= -0.689 K(o=1.8,f=-3.7!) USER MOD Set 1.2: A 63 SER OG : rot -65:sc= 1.23 USER MOD Set 1.3: A 67 SER OG : rot 138:sc= 1.31 USER MOD Set 2.1: A 55 GLN : amide:sc= -0.123 K(o=-0.041,f=1.4) USER MOD Set 2.2: A 57 TYR OH : rot -51:sc= 0.0824 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.108 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0.383 X(o=0.38,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.67) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 84:sc= 0.0288 USER MOD Single : A 34 HIS : no HE2:sc= 0.154 K(o=0.15,f=-3.6!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 1.14 K(o=1.1,f=-0.0031) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 40 CYS SG : rot 160:sc= -0.912 USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0327 (180deg=-0.262) USER MOD Single : A 52 GLN : amide:sc= 1.16 K(o=1.2,f=-0.0013) USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= -0.412 (180deg=-1.41!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00498 USER MOD Single : A 69 ASN : amide:sc= 0.347 K(o=0.35,f=-5.8!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.0287 K(o=-0.029,f=-0.82) USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00185) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 109:sc= 1.1 USER MOD Single : A 99 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.51) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.29) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0.996 K(o=1,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.241 -23.342 1.748 1.00 0.00 N ATOM 2 CA GLY A 1 2.921 -22.154 1.214 1.00 0.00 C ATOM 3 C GLY A 1 2.100 -20.899 1.475 1.00 0.00 C ATOM 4 O GLY A 1 1.196 -20.911 2.313 1.00 0.00 O ATOM 0 H1 GLY A 1 2.886 -23.855 2.383 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.395 -23.049 2.277 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.961 -23.964 0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.904 -22.054 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.082 -22.272 0.143 1.00 0.00 H new ATOM 8 N HIS A 2 2.394 -19.804 0.758 1.00 0.00 N ATOM 9 CA HIS A 2 1.955 -18.439 1.088 1.00 0.00 C ATOM 10 C HIS A 2 2.468 -18.046 2.499 1.00 0.00 C ATOM 11 O HIS A 2 3.083 -18.851 3.200 1.00 0.00 O ATOM 12 CB HIS A 2 0.423 -18.260 0.918 1.00 0.00 C ATOM 13 CG HIS A 2 -0.166 -18.800 -0.364 1.00 0.00 C ATOM 14 ND1 HIS A 2 -0.314 -20.114 -0.752 1.00 0.00 N ATOM 15 CD2 HIS A 2 -0.729 -18.033 -1.337 1.00 0.00 C ATOM 16 CE1 HIS A 2 -0.910 -20.126 -1.958 1.00 0.00 C ATOM 17 NE2 HIS A 2 -1.158 -18.870 -2.370 1.00 0.00 N ATOM 0 H HIS A 2 2.959 -19.844 -0.090 1.00 0.00 H new ATOM 0 HA HIS A 2 2.400 -17.745 0.374 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.075 -18.746 1.757 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.192 -17.197 0.982 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -0.023 -20.933 -0.219 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.828 -16.958 -1.314 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -1.155 -21.018 -2.516 1.00 0.00 H new ATOM 25 N VAL A 3 2.259 -16.805 2.934 1.00 0.00 N ATOM 26 CA VAL A 3 2.734 -16.270 4.213 1.00 0.00 C ATOM 27 C VAL A 3 1.646 -15.353 4.761 1.00 0.00 C ATOM 28 O VAL A 3 1.334 -14.361 4.107 1.00 0.00 O ATOM 29 CB VAL A 3 4.078 -15.499 4.049 1.00 0.00 C ATOM 30 CG1 VAL A 3 5.153 -16.127 4.947 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.650 -15.417 2.623 1.00 0.00 C ATOM 0 H VAL A 3 1.737 -16.119 2.389 1.00 0.00 H new ATOM 0 HA VAL A 3 2.930 -17.089 4.906 1.00 0.00 H new ATOM 0 HB VAL A 3 3.826 -14.477 4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.090 -15.583 4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.833 -16.075 5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.300 -17.169 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.585 -14.857 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.835 -16.423 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.935 -14.913 1.973 1.00 0.00 H new ATOM 41 N GLN A 4 1.006 -15.672 5.891 1.00 0.00 N ATOM 42 CA GLN A 4 -0.010 -14.771 6.426 1.00 0.00 C ATOM 43 C GLN A 4 0.622 -13.465 6.875 1.00 0.00 C ATOM 44 O GLN A 4 1.726 -13.467 7.426 1.00 0.00 O ATOM 45 CB GLN A 4 -0.851 -15.375 7.560 1.00 0.00 C ATOM 46 CG GLN A 4 -2.306 -14.893 7.413 1.00 0.00 C ATOM 47 CD GLN A 4 -2.978 -14.623 8.748 1.00 0.00 C ATOM 48 OE1 GLN A 4 -3.638 -15.492 9.303 1.00 0.00 O ATOM 49 NE2 GLN A 4 -2.891 -13.404 9.248 1.00 0.00 N ATOM 0 H GLN A 4 1.168 -16.519 6.435 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.704 -14.586 5.606 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.809 -16.464 7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.450 -15.074 8.528 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.323 -13.983 6.813 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.879 -15.644 6.869 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.336 -12.695 8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.379 -13.171 10.113 1.00 0.00 H new ATOM 58 N LEU A 5 -0.127 -12.383 6.687 1.00 0.00 N ATOM 59 CA LEU A 5 0.167 -11.047 7.167 1.00 0.00 C ATOM 60 C LEU A 5 -1.099 -10.470 7.804 1.00 0.00 C ATOM 61 O LEU A 5 -2.196 -11.003 7.603 1.00 0.00 O ATOM 62 CB LEU A 5 0.691 -10.174 6.011 1.00 0.00 C ATOM 63 CG LEU A 5 2.099 -10.571 5.507 1.00 0.00 C ATOM 64 CD1 LEU A 5 2.500 -9.727 4.293 1.00 0.00 C ATOM 65 CD2 LEU A 5 3.177 -10.382 6.578 1.00 0.00 C ATOM 0 H LEU A 5 -1.003 -12.423 6.166 1.00 0.00 H new ATOM 0 HA LEU A 5 0.951 -11.072 7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.011 -10.232 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.713 -9.134 6.337 1.00 0.00 H new ATOM 0 HG LEU A 5 2.036 -11.627 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.493 -10.023 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.782 -9.883 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.511 -8.673 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.146 -10.675 6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.211 -9.335 6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.943 -11.002 7.444 1.00 0.00 H new ATOM 77 N SER A 6 -0.967 -9.385 8.566 1.00 0.00 N ATOM 78 CA SER A 6 -2.056 -8.639 9.158 1.00 0.00 C ATOM 79 C SER A 6 -1.778 -7.140 9.027 1.00 0.00 C ATOM 80 O SER A 6 -0.649 -6.688 9.252 1.00 0.00 O ATOM 81 CB SER A 6 -2.231 -9.026 10.630 1.00 0.00 C ATOM 82 OG SER A 6 -1.546 -10.195 11.055 1.00 0.00 O ATOM 0 H SER A 6 -0.054 -8.992 8.792 1.00 0.00 H new ATOM 0 HA SER A 6 -2.981 -8.877 8.633 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.898 -8.191 11.246 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.295 -9.162 10.825 1.00 0.00 H new ATOM 0 HG SER A 6 -1.723 -10.350 12.006 1.00 0.00 H new ATOM 88 N LEU A 7 -2.806 -6.364 8.692 1.00 0.00 N ATOM 89 CA LEU A 7 -2.736 -4.929 8.443 1.00 0.00 C ATOM 90 C LEU A 7 -3.776 -4.236 9.325 1.00 0.00 C ATOM 91 O LEU A 7 -4.918 -4.697 9.328 1.00 0.00 O ATOM 92 CB LEU A 7 -3.074 -4.645 6.967 1.00 0.00 C ATOM 93 CG LEU A 7 -2.103 -5.251 5.938 1.00 0.00 C ATOM 94 CD1 LEU A 7 -2.742 -5.218 4.547 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.774 -4.491 5.899 1.00 0.00 C ATOM 0 H LEU A 7 -3.750 -6.735 8.582 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.734 -4.562 8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.076 -5.023 6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.105 -3.565 6.820 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.900 -6.279 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.053 -5.647 3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.666 -5.796 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.963 -4.187 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.115 -4.948 5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.957 -3.451 5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.303 -4.532 6.881 1.00 0.00 H new ATOM 107 N PRO A 8 -3.453 -3.137 10.023 1.00 0.00 N ATOM 108 CA PRO A 8 -4.465 -2.240 10.558 1.00 0.00 C ATOM 109 C PRO A 8 -5.183 -1.575 9.374 1.00 0.00 C ATOM 110 O PRO A 8 -4.529 -1.170 8.408 1.00 0.00 O ATOM 111 CB PRO A 8 -3.674 -1.259 11.430 1.00 0.00 C ATOM 112 CG PRO A 8 -2.320 -1.153 10.743 1.00 0.00 C ATOM 113 CD PRO A 8 -2.127 -2.562 10.188 1.00 0.00 C ATOM 0 HA PRO A 8 -5.243 -2.717 11.154 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.168 -0.289 11.487 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.574 -1.626 12.451 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.322 -0.401 9.953 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.530 -0.879 11.442 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.598 -2.533 9.236 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.526 -3.166 10.868 1.00 0.00 H new ATOM 121 N VAL A 9 -6.510 -1.492 9.416 1.00 0.00 N ATOM 122 CA VAL A 9 -7.318 -0.776 8.434 1.00 0.00 C ATOM 123 C VAL A 9 -7.452 0.643 8.964 1.00 0.00 C ATOM 124 O VAL A 9 -7.935 0.819 10.085 1.00 0.00 O ATOM 125 CB VAL A 9 -8.694 -1.444 8.231 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.413 -0.833 7.020 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.575 -2.961 8.009 1.00 0.00 C ATOM 0 H VAL A 9 -7.066 -1.931 10.150 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.847 -0.787 7.451 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.264 -1.267 9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.382 -1.315 6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.558 0.235 7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.810 -0.984 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.569 -3.388 7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.971 -3.153 7.122 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.101 -3.420 8.877 1.00 0.00 H new ATOM 137 N LEU A 10 -6.983 1.624 8.196 1.00 0.00 N ATOM 138 CA LEU A 10 -6.809 3.015 8.602 1.00 0.00 C ATOM 139 C LEU A 10 -7.631 3.877 7.643 1.00 0.00 C ATOM 140 O LEU A 10 -7.705 3.542 6.456 1.00 0.00 O ATOM 141 CB LEU A 10 -5.319 3.390 8.494 1.00 0.00 C ATOM 142 CG LEU A 10 -4.323 2.506 9.267 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.897 2.784 8.788 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.393 2.740 10.777 1.00 0.00 C ATOM 0 H LEU A 10 -6.701 1.462 7.229 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.136 3.169 9.630 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.040 3.374 7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.201 4.417 8.840 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.596 1.469 9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.199 2.155 9.340 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.821 2.563 7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.654 3.833 8.959 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.673 2.094 11.279 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.160 3.782 10.995 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.397 2.511 11.135 1.00 0.00 H new ATOM 156 N GLN A 11 -8.245 4.970 8.100 1.00 0.00 N ATOM 157 CA GLN A 11 -9.095 5.792 7.242 1.00 0.00 C ATOM 158 C GLN A 11 -8.247 6.653 6.326 1.00 0.00 C ATOM 159 O GLN A 11 -7.264 7.234 6.766 1.00 0.00 O ATOM 160 CB GLN A 11 -10.030 6.706 8.047 1.00 0.00 C ATOM 161 CG GLN A 11 -11.020 5.865 8.848 1.00 0.00 C ATOM 162 CD GLN A 11 -12.310 6.540 9.286 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.891 6.179 10.304 1.00 0.00 O ATOM 164 NE2 GLN A 11 -12.892 7.408 8.475 1.00 0.00 N ATOM 0 H GLN A 11 -8.168 5.305 9.060 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.706 5.103 6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.447 7.335 8.720 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.568 7.373 7.374 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.282 4.991 8.251 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.510 5.501 9.740 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.415 7.713 7.627 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.818 7.773 8.698 1.00 0.00 H new ATOM 173 N VAL A 12 -8.675 6.859 5.079 1.00 0.00 N ATOM 174 CA VAL A 12 -7.948 7.723 4.154 1.00 0.00 C ATOM 175 C VAL A 12 -7.822 9.138 4.732 1.00 0.00 C ATOM 176 O VAL A 12 -6.830 9.813 4.477 1.00 0.00 O ATOM 177 CB VAL A 12 -8.628 7.693 2.774 1.00 0.00 C ATOM 178 CG1 VAL A 12 -10.057 8.250 2.738 1.00 0.00 C ATOM 179 CG2 VAL A 12 -7.784 8.431 1.733 1.00 0.00 C ATOM 0 H VAL A 12 -9.519 6.440 4.689 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.931 7.354 4.019 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.704 6.632 2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.448 8.185 1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.691 7.670 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.049 9.292 3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.286 8.396 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.657 9.470 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.807 7.954 1.652 1.00 0.00 H new ATOM 189 N ARG A 13 -8.801 9.583 5.533 1.00 0.00 N ATOM 190 CA ARG A 13 -8.756 10.929 6.089 1.00 0.00 C ATOM 191 C ARG A 13 -7.647 11.047 7.127 1.00 0.00 C ATOM 192 O ARG A 13 -6.973 12.073 7.202 1.00 0.00 O ATOM 193 CB ARG A 13 -10.133 11.357 6.635 1.00 0.00 C ATOM 194 CG ARG A 13 -10.579 10.619 7.914 1.00 0.00 C ATOM 195 CD ARG A 13 -12.005 10.978 8.345 1.00 0.00 C ATOM 196 NE ARG A 13 -13.029 10.405 7.455 1.00 0.00 N ATOM 197 CZ ARG A 13 -14.354 10.533 7.600 1.00 0.00 C ATOM 198 NH1 ARG A 13 -14.873 11.187 8.633 1.00 0.00 N ATOM 199 NH2 ARG A 13 -15.163 10.007 6.686 1.00 0.00 N ATOM 0 H ARG A 13 -9.618 9.035 5.803 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.515 11.627 5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.111 12.427 6.839 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.882 11.196 5.860 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.515 9.544 7.747 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.889 10.857 8.724 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.173 10.623 9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.112 12.063 8.364 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.699 9.862 6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.259 11.603 9.334 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.885 11.273 8.725 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.773 9.512 5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.174 10.099 6.786 1.00 0.00 H new ATOM 213 N ASP A 14 -7.463 9.985 7.900 1.00 0.00 N ATOM 214 CA ASP A 14 -6.557 9.919 9.029 1.00 0.00 C ATOM 215 C ASP A 14 -5.138 9.663 8.575 1.00 0.00 C ATOM 216 O ASP A 14 -4.193 10.189 9.152 1.00 0.00 O ATOM 217 CB ASP A 14 -6.973 8.757 9.926 1.00 0.00 C ATOM 218 CG ASP A 14 -8.019 9.203 10.936 1.00 0.00 C ATOM 219 OD1 ASP A 14 -7.760 10.182 11.676 1.00 0.00 O ATOM 220 OD2 ASP A 14 -9.135 8.644 10.949 1.00 0.00 O ATOM 0 H ASP A 14 -7.965 9.110 7.747 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.601 10.871 9.558 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.372 7.946 9.317 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.101 8.364 10.448 1.00 0.00 H new ATOM 225 N VAL A 15 -5.005 8.836 7.549 1.00 0.00 N ATOM 226 CA VAL A 15 -3.831 8.516 6.771 1.00 0.00 C ATOM 227 C VAL A 15 -3.339 9.759 6.055 1.00 0.00 C ATOM 228 O VAL A 15 -3.587 9.914 4.867 1.00 0.00 O ATOM 229 CB VAL A 15 -4.080 7.291 5.878 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.802 6.902 5.144 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.459 6.039 6.687 1.00 0.00 C ATOM 0 H VAL A 15 -5.814 8.317 7.208 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.011 8.209 7.420 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.888 7.582 5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.994 6.033 4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.472 7.734 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.025 6.661 5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.624 5.203 6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.651 5.793 7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.371 6.233 7.252 1.00 0.00 H new ATOM 241 N LEU A 16 -2.884 10.763 6.796 1.00 0.00 N ATOM 242 CA LEU A 16 -2.175 11.912 6.259 1.00 0.00 C ATOM 243 C LEU A 16 -1.270 11.513 5.089 1.00 0.00 C ATOM 244 O LEU A 16 -1.452 12.048 3.999 1.00 0.00 O ATOM 245 CB LEU A 16 -1.359 12.574 7.375 1.00 0.00 C ATOM 246 CG LEU A 16 -2.191 13.216 8.499 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.244 13.844 9.525 1.00 0.00 C ATOM 248 CD2 LEU A 16 -3.166 14.279 7.977 1.00 0.00 C ATOM 0 H LEU A 16 -3.002 10.799 7.809 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.905 12.624 5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.699 11.826 7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.722 13.340 6.933 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.791 12.430 8.958 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.826 14.301 10.325 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.597 13.073 9.942 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.634 14.606 9.039 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.727 14.699 8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.608 15.072 7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.857 13.822 7.268 1.00 0.00 H new ATOM 260 N VAL A 17 -0.348 10.564 5.288 1.00 0.00 N ATOM 261 CA VAL A 17 0.629 10.126 4.290 1.00 0.00 C ATOM 262 C VAL A 17 0.103 8.895 3.551 1.00 0.00 C ATOM 263 O VAL A 17 0.046 7.783 4.082 1.00 0.00 O ATOM 264 CB VAL A 17 2.027 9.967 4.924 1.00 0.00 C ATOM 265 CG1 VAL A 17 2.017 9.189 6.250 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.050 9.362 3.952 1.00 0.00 C ATOM 0 H VAL A 17 -0.260 10.067 6.174 1.00 0.00 H new ATOM 0 HA VAL A 17 0.762 10.891 3.525 1.00 0.00 H new ATOM 0 HB VAL A 17 2.341 10.985 5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.033 9.117 6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.390 9.710 6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.621 8.188 6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.016 9.272 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.712 8.375 3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.150 10.008 3.080 1.00 0.00 H new ATOM 276 N ARG A 18 -0.332 9.099 2.309 1.00 0.00 N ATOM 277 CA ARG A 18 -1.077 8.126 1.509 1.00 0.00 C ATOM 278 C ARG A 18 -0.196 7.494 0.448 1.00 0.00 C ATOM 279 O ARG A 18 -0.722 6.940 -0.519 1.00 0.00 O ATOM 280 CB ARG A 18 -2.297 8.821 0.886 1.00 0.00 C ATOM 281 CG ARG A 18 -3.266 9.241 1.982 1.00 0.00 C ATOM 282 CD ARG A 18 -4.379 10.151 1.490 1.00 0.00 C ATOM 283 NE ARG A 18 -4.917 10.887 2.628 1.00 0.00 N ATOM 284 CZ ARG A 18 -5.392 12.125 2.682 1.00 0.00 C ATOM 285 NH1 ARG A 18 -5.608 12.814 1.569 1.00 0.00 N ATOM 286 NH2 ARG A 18 -5.647 12.638 3.877 1.00 0.00 N ATOM 0 H ARG A 18 -0.170 9.976 1.814 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.419 7.316 2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.978 9.693 0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.793 8.148 0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.707 8.349 2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.712 9.751 2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.998 10.842 0.739 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.164 9.564 1.014 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.930 10.376 3.511 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.409 12.393 0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.973 13.765 1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.477 12.084 4.717 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.013 13.587 3.957 1.00 0.00 H new ATOM 300 N GLY A 19 1.123 7.581 0.585 1.00 0.00 N ATOM 301 CA GLY A 19 2.026 6.966 -0.357 1.00 0.00 C ATOM 302 C GLY A 19 3.299 6.547 0.346 1.00 0.00 C ATOM 303 O GLY A 19 3.727 7.200 1.296 1.00 0.00 O ATOM 0 H GLY A 19 1.584 8.077 1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.551 6.098 -0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.258 7.665 -1.161 1.00 0.00 H new ATOM 307 N PHE A 20 3.909 5.469 -0.140 1.00 0.00 N ATOM 308 CA PHE A 20 5.227 5.019 0.292 1.00 0.00 C ATOM 309 C PHE A 20 6.354 5.718 -0.476 1.00 0.00 C ATOM 310 O PHE A 20 7.506 5.626 -0.056 1.00 0.00 O ATOM 311 CB PHE A 20 5.374 3.517 0.051 1.00 0.00 C ATOM 312 CG PHE A 20 4.551 2.587 0.907 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.830 2.452 2.279 1.00 0.00 C ATOM 314 CD2 PHE A 20 3.576 1.768 0.314 1.00 0.00 C ATOM 315 CE1 PHE A 20 4.114 1.521 3.049 1.00 0.00 C ATOM 316 CE2 PHE A 20 2.863 0.847 1.085 1.00 0.00 C ATOM 317 CZ PHE A 20 3.121 0.728 2.457 1.00 0.00 C ATOM 0 H PHE A 20 3.493 4.875 -0.857 1.00 0.00 H new ATOM 0 HA PHE A 20 5.307 5.261 1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.128 3.319 -0.992 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.424 3.257 0.186 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.593 3.063 2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.376 1.851 -0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.329 1.415 4.102 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.111 0.225 0.622 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.557 0.028 3.056 1.00 0.00 H new ATOM 327 N GLY A 21 6.057 6.372 -1.595 1.00 0.00 N ATOM 328 CA GLY A 21 7.024 7.044 -2.448 1.00 0.00 C ATOM 329 C GLY A 21 6.287 7.678 -3.609 1.00 0.00 C ATOM 330 O GLY A 21 5.069 7.508 -3.732 1.00 0.00 O ATOM 0 H GLY A 21 5.101 6.450 -1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.564 7.804 -1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.765 6.333 -2.813 1.00 0.00 H new ATOM 334 N ASP A 22 7.027 8.389 -4.458 1.00 0.00 N ATOM 335 CA ASP A 22 6.437 9.310 -5.429 1.00 0.00 C ATOM 336 C ASP A 22 6.318 8.733 -6.845 1.00 0.00 C ATOM 337 O ASP A 22 5.676 9.343 -7.707 1.00 0.00 O ATOM 338 CB ASP A 22 7.250 10.615 -5.445 1.00 0.00 C ATOM 339 CG ASP A 22 6.395 11.835 -5.776 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.277 11.946 -5.232 1.00 0.00 O ATOM 341 OD2 ASP A 22 6.897 12.771 -6.436 1.00 0.00 O ATOM 0 H ASP A 22 8.045 8.344 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 22 5.413 9.498 -5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.719 10.758 -4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.053 10.529 -6.177 1.00 0.00 H new ATOM 346 N SER A 23 6.878 7.538 -7.077 1.00 0.00 N ATOM 347 CA SER A 23 6.681 6.744 -8.289 1.00 0.00 C ATOM 348 C SER A 23 6.295 5.305 -7.941 1.00 0.00 C ATOM 349 O SER A 23 6.454 4.867 -6.799 1.00 0.00 O ATOM 350 CB SER A 23 7.940 6.788 -9.155 1.00 0.00 C ATOM 351 OG SER A 23 8.096 8.074 -9.708 1.00 0.00 O ATOM 0 H SER A 23 7.498 7.087 -6.404 1.00 0.00 H new ATOM 0 HA SER A 23 5.858 7.174 -8.860 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.814 6.532 -8.555 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.871 6.046 -9.951 1.00 0.00 H new ATOM 0 HG SER A 23 8.905 8.097 -10.260 1.00 0.00 H new ATOM 357 N VAL A 24 5.787 4.574 -8.939 1.00 0.00 N ATOM 358 CA VAL A 24 5.172 3.254 -8.789 1.00 0.00 C ATOM 359 C VAL A 24 6.145 2.301 -8.144 1.00 0.00 C ATOM 360 O VAL A 24 5.826 1.679 -7.136 1.00 0.00 O ATOM 361 CB VAL A 24 4.678 2.724 -10.148 1.00 0.00 C ATOM 362 CG1 VAL A 24 3.979 1.368 -10.064 1.00 0.00 C ATOM 363 CG2 VAL A 24 3.674 3.712 -10.726 1.00 0.00 C ATOM 0 H VAL A 24 5.794 4.898 -9.906 1.00 0.00 H new ATOM 0 HA VAL A 24 4.302 3.341 -8.139 1.00 0.00 H new ATOM 0 HB VAL A 24 5.565 2.606 -10.770 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.660 1.061 -11.060 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.669 0.627 -9.660 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.109 1.447 -9.412 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.317 3.347 -11.689 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.831 3.816 -10.043 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.154 4.681 -10.861 1.00 0.00 H new ATOM 373 N GLU A 25 7.315 2.165 -8.757 1.00 0.00 N ATOM 374 CA GLU A 25 8.231 1.110 -8.385 1.00 0.00 C ATOM 375 C GLU A 25 8.914 1.408 -7.054 1.00 0.00 C ATOM 376 O GLU A 25 9.363 0.497 -6.358 1.00 0.00 O ATOM 377 CB GLU A 25 9.267 0.952 -9.492 1.00 0.00 C ATOM 378 CG GLU A 25 8.605 0.340 -10.729 1.00 0.00 C ATOM 379 CD GLU A 25 9.658 -0.184 -11.691 1.00 0.00 C ATOM 380 OE1 GLU A 25 10.146 0.606 -12.539 1.00 0.00 O ATOM 381 OE2 GLU A 25 9.980 -1.387 -11.611 1.00 0.00 O ATOM 0 H GLU A 25 7.644 2.771 -9.508 1.00 0.00 H new ATOM 0 HA GLU A 25 7.673 0.182 -8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.700 1.921 -9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.084 0.316 -9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.941 -0.471 -10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.989 1.089 -11.227 1.00 0.00 H new ATOM 388 N GLU A 26 9.002 2.688 -6.709 1.00 0.00 N ATOM 389 CA GLU A 26 9.500 3.170 -5.433 1.00 0.00 C ATOM 390 C GLU A 26 8.544 2.663 -4.373 1.00 0.00 C ATOM 391 O GLU A 26 8.930 1.861 -3.524 1.00 0.00 O ATOM 392 CB GLU A 26 9.626 4.697 -5.459 1.00 0.00 C ATOM 393 CG GLU A 26 10.464 5.188 -6.650 1.00 0.00 C ATOM 394 CD GLU A 26 11.838 4.519 -6.850 1.00 0.00 C ATOM 395 OE1 GLU A 26 11.906 3.361 -7.343 1.00 0.00 O ATOM 396 OE2 GLU A 26 12.861 5.209 -6.666 1.00 0.00 O ATOM 0 H GLU A 26 8.718 3.442 -7.334 1.00 0.00 H new ATOM 0 HA GLU A 26 10.501 2.800 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.632 5.141 -5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.082 5.038 -4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.880 5.045 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.621 6.261 -6.537 1.00 0.00 H new ATOM 403 N ALA A 27 7.275 3.047 -4.504 1.00 0.00 N ATOM 404 CA ALA A 27 6.228 2.644 -3.597 1.00 0.00 C ATOM 405 C ALA A 27 6.124 1.118 -3.507 1.00 0.00 C ATOM 406 O ALA A 27 5.985 0.591 -2.407 1.00 0.00 O ATOM 407 CB ALA A 27 4.923 3.307 -4.032 1.00 0.00 C ATOM 0 H ALA A 27 6.952 3.655 -5.257 1.00 0.00 H new ATOM 0 HA ALA A 27 6.461 2.978 -2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.121 3.011 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.039 4.390 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.676 2.993 -5.046 1.00 0.00 H new ATOM 413 N LEU A 28 6.215 0.393 -4.628 1.00 0.00 N ATOM 414 CA LEU A 28 6.213 -1.070 -4.646 1.00 0.00 C ATOM 415 C LEU A 28 7.341 -1.673 -3.782 1.00 0.00 C ATOM 416 O LEU A 28 7.083 -2.562 -2.964 1.00 0.00 O ATOM 417 CB LEU A 28 6.283 -1.561 -6.107 1.00 0.00 C ATOM 418 CG LEU A 28 5.385 -2.773 -6.395 1.00 0.00 C ATOM 419 CD1 LEU A 28 5.522 -3.178 -7.869 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.679 -3.981 -5.505 1.00 0.00 C ATOM 0 H LEU A 28 6.293 0.811 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 28 5.283 -1.418 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.998 -0.744 -6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.315 -1.820 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 28 4.365 -2.461 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.884 -4.038 -8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.220 -2.345 -8.505 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.559 -3.438 -8.080 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.006 -4.798 -5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.711 -4.300 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.530 -3.708 -4.460 1.00 0.00 H new ATOM 432 N SER A 29 8.583 -1.212 -3.950 1.00 0.00 N ATOM 433 CA SER A 29 9.733 -1.675 -3.170 1.00 0.00 C ATOM 434 C SER A 29 9.569 -1.364 -1.685 1.00 0.00 C ATOM 435 O SER A 29 9.769 -2.230 -0.827 1.00 0.00 O ATOM 436 CB SER A 29 10.987 -0.957 -3.662 1.00 0.00 C ATOM 437 OG SER A 29 11.414 -1.483 -4.911 1.00 0.00 O ATOM 0 H SER A 29 8.821 -0.499 -4.639 1.00 0.00 H new ATOM 0 HA SER A 29 9.811 -2.755 -3.299 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.785 0.109 -3.762 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.784 -1.063 -2.926 1.00 0.00 H new ATOM 0 HG SER A 29 10.914 -1.053 -5.635 1.00 0.00 H new ATOM 443 N GLU A 30 9.219 -0.117 -1.383 1.00 0.00 N ATOM 444 CA GLU A 30 9.033 0.367 -0.029 1.00 0.00 C ATOM 445 C GLU A 30 7.913 -0.415 0.647 1.00 0.00 C ATOM 446 O GLU A 30 7.980 -0.663 1.844 1.00 0.00 O ATOM 447 CB GLU A 30 8.565 1.814 -0.107 1.00 0.00 C ATOM 448 CG GLU A 30 9.536 2.837 -0.688 1.00 0.00 C ATOM 449 CD GLU A 30 10.340 3.613 0.357 1.00 0.00 C ATOM 450 OE1 GLU A 30 10.684 3.051 1.422 1.00 0.00 O ATOM 451 OE2 GLU A 30 10.750 4.762 0.054 1.00 0.00 O ATOM 0 H GLU A 30 9.054 0.597 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 30 9.966 0.261 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.652 1.841 -0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.299 2.136 0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.230 2.324 -1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.975 3.546 -1.297 1.00 0.00 H new ATOM 458 N ALA A 31 6.875 -0.801 -0.095 1.00 0.00 N ATOM 459 CA ALA A 31 5.763 -1.561 0.432 1.00 0.00 C ATOM 460 C ALA A 31 6.241 -2.929 0.908 1.00 0.00 C ATOM 461 O ALA A 31 5.913 -3.311 2.029 1.00 0.00 O ATOM 462 CB ALA A 31 4.670 -1.658 -0.622 1.00 0.00 C ATOM 0 H ALA A 31 6.790 -0.588 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 31 5.339 -1.054 1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.832 -2.231 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.332 -0.657 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.063 -2.156 -1.508 1.00 0.00 H new ATOM 468 N ARG A 32 7.070 -3.643 0.132 1.00 0.00 N ATOM 469 CA ARG A 32 7.719 -4.863 0.631 1.00 0.00 C ATOM 470 C ARG A 32 8.467 -4.578 1.918 1.00 0.00 C ATOM 471 O ARG A 32 8.426 -5.409 2.823 1.00 0.00 O ATOM 472 CB ARG A 32 8.702 -5.457 -0.396 1.00 0.00 C ATOM 473 CG ARG A 32 8.096 -6.464 -1.375 1.00 0.00 C ATOM 474 CD ARG A 32 8.326 -6.074 -2.840 1.00 0.00 C ATOM 475 NE ARG A 32 7.746 -7.096 -3.719 1.00 0.00 N ATOM 476 CZ ARG A 32 7.718 -7.107 -5.052 1.00 0.00 C ATOM 477 NH1 ARG A 32 8.380 -6.220 -5.787 1.00 0.00 N ATOM 478 NH2 ARG A 32 7.015 -8.067 -5.637 1.00 0.00 N ATOM 0 H ARG A 32 7.304 -3.401 -0.831 1.00 0.00 H new ATOM 0 HA ARG A 32 6.927 -5.590 0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.142 -4.640 -0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.515 -5.943 0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.528 -7.448 -1.193 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.025 -6.547 -1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.872 -5.104 -3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.393 -5.974 -3.037 1.00 0.00 H new ATOM 0 HE ARG A 32 7.312 -7.894 -3.254 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.936 -5.495 -5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.332 -6.264 -6.805 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.524 -8.758 -5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.965 -8.115 -6.655 1.00 0.00 H new ATOM 492 N GLU A 33 9.144 -3.442 2.015 1.00 0.00 N ATOM 493 CA GLU A 33 9.901 -3.094 3.197 1.00 0.00 C ATOM 494 C GLU A 33 8.991 -2.839 4.394 1.00 0.00 C ATOM 495 O GLU A 33 9.222 -3.383 5.472 1.00 0.00 O ATOM 496 CB GLU A 33 10.793 -1.888 2.877 1.00 0.00 C ATOM 497 CG GLU A 33 12.210 -2.349 2.549 1.00 0.00 C ATOM 498 CD GLU A 33 12.884 -1.472 1.501 1.00 0.00 C ATOM 499 OE1 GLU A 33 13.024 -0.256 1.745 1.00 0.00 O ATOM 500 OE2 GLU A 33 13.258 -2.020 0.437 1.00 0.00 O ATOM 0 H GLU A 33 9.180 -2.741 1.275 1.00 0.00 H new ATOM 0 HA GLU A 33 10.535 -3.934 3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.379 -1.335 2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.813 -1.206 3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.809 -2.346 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.180 -3.378 2.191 1.00 0.00 H new ATOM 507 N HIS A 34 7.926 -2.061 4.238 1.00 0.00 N ATOM 508 CA HIS A 34 7.029 -1.740 5.337 1.00 0.00 C ATOM 509 C HIS A 34 6.244 -2.984 5.748 1.00 0.00 C ATOM 510 O HIS A 34 5.964 -3.154 6.929 1.00 0.00 O ATOM 511 CB HIS A 34 6.118 -0.574 4.954 1.00 0.00 C ATOM 512 CG HIS A 34 6.851 0.745 4.910 1.00 0.00 C ATOM 513 ND1 HIS A 34 7.758 1.151 3.955 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.715 1.766 5.809 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.170 2.390 4.274 1.00 0.00 C ATOM 516 NE2 HIS A 34 7.557 2.800 5.396 1.00 0.00 N ATOM 0 H HIS A 34 7.662 -1.637 3.348 1.00 0.00 H new ATOM 0 HA HIS A 34 7.609 -1.420 6.203 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.673 -0.771 3.979 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.299 -0.507 5.670 1.00 0.00 H new ATOM 0 HD1 HIS A 34 8.063 0.607 3.148 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.074 1.772 6.678 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.887 2.969 3.712 1.00 0.00 H new ATOM 524 N LEU A 35 5.953 -3.903 4.821 1.00 0.00 N ATOM 525 CA LEU A 35 5.421 -5.222 5.148 1.00 0.00 C ATOM 526 C LEU A 35 6.452 -6.066 5.906 1.00 0.00 C ATOM 527 O LEU A 35 6.067 -6.894 6.731 1.00 0.00 O ATOM 528 CB LEU A 35 5.005 -5.978 3.871 1.00 0.00 C ATOM 529 CG LEU A 35 3.781 -5.425 3.119 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.571 -6.224 1.827 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.511 -5.500 3.956 1.00 0.00 C ATOM 0 H LEU A 35 6.082 -3.748 3.821 1.00 0.00 H new ATOM 0 HA LEU A 35 4.549 -5.066 5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.853 -5.985 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.803 -7.015 4.138 1.00 0.00 H new ATOM 0 HG LEU A 35 3.979 -4.376 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.704 -5.833 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.455 -6.135 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.404 -7.273 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.674 -5.099 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.308 -6.539 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.641 -4.916 4.867 1.00 0.00 H new ATOM 543 N LYS A 36 7.749 -5.903 5.625 1.00 0.00 N ATOM 544 CA LYS A 36 8.840 -6.585 6.308 1.00 0.00 C ATOM 545 C LYS A 36 8.923 -6.129 7.755 1.00 0.00 C ATOM 546 O LYS A 36 9.001 -6.972 8.648 1.00 0.00 O ATOM 547 CB LYS A 36 10.179 -6.296 5.595 1.00 0.00 C ATOM 548 CG LYS A 36 10.971 -7.571 5.333 1.00 0.00 C ATOM 549 CD LYS A 36 10.555 -8.208 4.007 1.00 0.00 C ATOM 550 CE LYS A 36 11.148 -7.432 2.823 1.00 0.00 C ATOM 551 NZ LYS A 36 11.093 -8.190 1.559 1.00 0.00 N ATOM 0 H LYS A 36 8.073 -5.272 4.892 1.00 0.00 H new ATOM 0 HA LYS A 36 8.646 -7.657 6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.985 -5.789 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.775 -5.617 6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.037 -7.344 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.810 -8.278 6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.891 -9.244 3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.468 -8.223 3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.608 -6.493 2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.184 -7.177 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.506 -7.620 0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.631 -9.074 1.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.103 -8.411 1.330 1.00 0.00 H new ATOM 565 N ASN A 37 8.930 -4.813 7.973 1.00 0.00 N ATOM 566 CA ASN A 37 8.938 -4.205 9.299 1.00 0.00 C ATOM 567 C ASN A 37 7.657 -4.655 10.002 1.00 0.00 C ATOM 568 O ASN A 37 7.697 -5.218 11.093 1.00 0.00 O ATOM 569 CB ASN A 37 8.996 -2.664 9.214 1.00 0.00 C ATOM 570 CG ASN A 37 10.341 -2.082 8.776 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.123 -1.594 9.587 1.00 0.00 O ATOM 572 ND2 ASN A 37 10.626 -2.079 7.486 1.00 0.00 N ATOM 0 H ASN A 37 8.930 -4.129 7.216 1.00 0.00 H new ATOM 0 HA ASN A 37 9.823 -4.520 9.853 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.229 -2.326 8.517 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.742 -2.253 10.191 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.501 -1.669 7.158 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.971 -2.486 6.818 1.00 0.00 H new ATOM 579 N GLY A 38 6.525 -4.447 9.331 1.00 0.00 N ATOM 580 CA GLY A 38 5.161 -4.624 9.812 1.00 0.00 C ATOM 581 C GLY A 38 4.406 -3.292 9.861 1.00 0.00 C ATOM 582 O GLY A 38 3.206 -3.263 10.145 1.00 0.00 O ATOM 0 H GLY A 38 6.542 -4.126 8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.632 -5.320 9.161 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.180 -5.070 10.807 1.00 0.00 H new ATOM 586 N THR A 39 5.075 -2.183 9.548 1.00 0.00 N ATOM 587 CA THR A 39 4.625 -0.806 9.687 1.00 0.00 C ATOM 588 C THR A 39 3.829 -0.393 8.444 1.00 0.00 C ATOM 589 O THR A 39 4.027 0.671 7.861 1.00 0.00 O ATOM 590 CB THR A 39 5.863 0.071 9.960 1.00 0.00 C ATOM 591 OG1 THR A 39 6.882 -0.147 9.001 1.00 0.00 O ATOM 592 CG2 THR A 39 6.477 -0.256 11.327 1.00 0.00 C ATOM 0 H THR A 39 6.018 -2.232 9.161 1.00 0.00 H new ATOM 0 HA THR A 39 3.942 -0.682 10.527 1.00 0.00 H new ATOM 0 HB THR A 39 5.514 1.103 9.919 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.650 0.426 9.204 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.349 0.376 11.495 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.740 -0.074 12.110 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.779 -1.303 11.349 1.00 0.00 H new ATOM 600 N CYS A 40 2.913 -1.253 8.011 1.00 0.00 N ATOM 601 CA CYS A 40 2.108 -1.100 6.818 1.00 0.00 C ATOM 602 C CYS A 40 0.656 -1.312 7.232 1.00 0.00 C ATOM 603 O CYS A 40 0.376 -2.197 8.040 1.00 0.00 O ATOM 604 CB CYS A 40 2.610 -2.117 5.790 1.00 0.00 C ATOM 605 SG CYS A 40 1.598 -2.117 4.296 1.00 0.00 S ATOM 0 H CYS A 40 2.706 -2.117 8.512 1.00 0.00 H new ATOM 0 HA CYS A 40 2.182 -0.115 6.358 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.643 -1.889 5.529 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.605 -3.113 6.232 1.00 0.00 H new ATOM 0 HG CYS A 40 2.270 -2.647 3.317 1.00 0.00 H new ATOM 611 N GLY A 41 -0.259 -0.517 6.682 1.00 0.00 N ATOM 612 CA GLY A 41 -1.691 -0.559 6.925 1.00 0.00 C ATOM 613 C GLY A 41 -2.465 -0.632 5.609 1.00 0.00 C ATOM 614 O GLY A 41 -1.874 -0.641 4.524 1.00 0.00 O ATOM 0 H GLY A 41 -0.002 0.213 6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.934 -1.423 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.996 0.327 7.482 1.00 0.00 H new ATOM 618 N LEU A 42 -3.792 -0.719 5.709 1.00 0.00 N ATOM 619 CA LEU A 42 -4.721 -0.976 4.616 1.00 0.00 C ATOM 620 C LEU A 42 -5.682 0.203 4.482 1.00 0.00 C ATOM 621 O LEU A 42 -6.321 0.577 5.464 1.00 0.00 O ATOM 622 CB LEU A 42 -5.506 -2.275 4.912 1.00 0.00 C ATOM 623 CG LEU A 42 -6.374 -2.747 3.729 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.528 -3.489 2.694 1.00 0.00 C ATOM 625 CD2 LEU A 42 -7.482 -3.700 4.186 1.00 0.00 C ATOM 0 H LEU A 42 -4.269 -0.606 6.603 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.174 -1.095 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.802 -3.065 5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.144 -2.115 5.781 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.814 -1.850 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.163 -3.812 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.751 -2.825 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.066 -4.360 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.073 -4.011 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.037 -4.577 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.126 -3.191 4.903 1.00 0.00 H new ATOM 637 N VAL A 43 -5.822 0.733 3.270 1.00 0.00 N ATOM 638 CA VAL A 43 -6.810 1.730 2.884 1.00 0.00 C ATOM 639 C VAL A 43 -7.740 1.023 1.904 1.00 0.00 C ATOM 640 O VAL A 43 -7.271 0.476 0.901 1.00 0.00 O ATOM 641 CB VAL A 43 -6.075 2.968 2.316 1.00 0.00 C ATOM 642 CG1 VAL A 43 -6.951 3.947 1.521 1.00 0.00 C ATOM 643 CG2 VAL A 43 -5.408 3.747 3.457 1.00 0.00 C ATOM 0 H VAL A 43 -5.218 0.464 2.493 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.411 2.116 3.707 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.350 2.558 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.340 4.778 1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.390 3.431 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.745 4.328 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.892 4.617 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.168 4.074 4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.689 3.104 3.965 1.00 0.00 H new ATOM 653 N GLU A 44 -9.039 0.939 2.195 1.00 0.00 N ATOM 654 CA GLU A 44 -9.974 0.239 1.319 1.00 0.00 C ATOM 655 C GLU A 44 -10.156 1.035 0.026 1.00 0.00 C ATOM 656 O GLU A 44 -9.942 2.250 -0.013 1.00 0.00 O ATOM 657 CB GLU A 44 -11.340 0.018 1.986 1.00 0.00 C ATOM 658 CG GLU A 44 -11.260 -0.541 3.415 1.00 0.00 C ATOM 659 CD GLU A 44 -12.659 -0.814 3.956 1.00 0.00 C ATOM 660 OE1 GLU A 44 -13.452 0.123 4.194 1.00 0.00 O ATOM 661 OE2 GLU A 44 -13.004 -2.018 4.080 1.00 0.00 O ATOM 0 H GLU A 44 -9.464 1.346 3.028 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.552 -0.743 1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.879 0.965 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.925 -0.667 1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.675 -1.461 3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.745 0.169 4.062 1.00 0.00 H new ATOM 668 N LEU A 45 -10.547 0.363 -1.056 1.00 0.00 N ATOM 669 CA LEU A 45 -10.803 1.026 -2.329 1.00 0.00 C ATOM 670 C LEU A 45 -12.185 1.651 -2.291 1.00 0.00 C ATOM 671 O LEU A 45 -13.147 1.093 -2.820 1.00 0.00 O ATOM 672 CB LEU A 45 -10.589 0.055 -3.502 1.00 0.00 C ATOM 673 CG LEU A 45 -9.098 0.002 -3.886 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.793 -1.295 -4.632 1.00 0.00 C ATOM 675 CD2 LEU A 45 -8.688 1.224 -4.718 1.00 0.00 C ATOM 0 H LEU A 45 -10.693 -0.646 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.089 1.834 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.936 -0.941 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.181 0.374 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.510 0.024 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.736 -1.322 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.028 -2.146 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.397 -1.344 -5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.630 1.154 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.279 1.256 -5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.863 2.132 -4.141 1.00 0.00 H new ATOM 687 N GLU A 46 -12.283 2.809 -1.645 1.00 0.00 N ATOM 688 CA GLU A 46 -13.502 3.596 -1.665 1.00 0.00 C ATOM 689 C GLU A 46 -13.558 4.352 -2.992 1.00 0.00 C ATOM 690 O GLU A 46 -12.531 4.655 -3.607 1.00 0.00 O ATOM 691 CB GLU A 46 -13.566 4.611 -0.508 1.00 0.00 C ATOM 692 CG GLU A 46 -13.320 4.003 0.881 1.00 0.00 C ATOM 693 CD GLU A 46 -13.222 5.022 2.025 1.00 0.00 C ATOM 694 OE1 GLU A 46 -13.356 6.252 1.829 1.00 0.00 O ATOM 695 OE2 GLU A 46 -12.997 4.577 3.177 1.00 0.00 O ATOM 0 H GLU A 46 -11.526 3.221 -1.100 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.347 2.918 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.828 5.393 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -14.545 5.090 -0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.127 3.305 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.397 3.424 0.850 1.00 0.00 H new ATOM 702 N LYS A 47 -14.763 4.738 -3.395 1.00 0.00 N ATOM 703 CA LYS A 47 -15.017 5.485 -4.616 1.00 0.00 C ATOM 704 C LYS A 47 -14.131 6.721 -4.701 1.00 0.00 C ATOM 705 O LYS A 47 -13.447 6.935 -5.704 1.00 0.00 O ATOM 706 CB LYS A 47 -16.508 5.828 -4.662 1.00 0.00 C ATOM 707 CG LYS A 47 -16.893 6.324 -6.052 1.00 0.00 C ATOM 708 CD LYS A 47 -18.409 6.248 -6.225 1.00 0.00 C ATOM 709 CE LYS A 47 -18.831 6.645 -7.637 1.00 0.00 C ATOM 710 NZ LYS A 47 -18.280 5.741 -8.663 1.00 0.00 N ATOM 0 H LYS A 47 -15.611 4.534 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.765 4.882 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.099 4.949 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.736 6.593 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.553 7.350 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.400 5.720 -6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.750 5.235 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.892 6.905 -5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.919 6.644 -7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -18.501 7.664 -7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.773 5.898 -9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.265 5.932 -8.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.413 4.754 -8.363 1.00 0.00 H new ATOM 724 N GLY A 48 -14.132 7.519 -3.636 1.00 0.00 N ATOM 725 CA GLY A 48 -13.391 8.761 -3.569 1.00 0.00 C ATOM 726 C GLY A 48 -12.002 8.606 -2.965 1.00 0.00 C ATOM 727 O GLY A 48 -11.424 9.623 -2.607 1.00 0.00 O ATOM 0 H GLY A 48 -14.657 7.312 -2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.298 9.174 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.957 9.482 -2.979 1.00 0.00 H new ATOM 731 N VAL A 49 -11.453 7.399 -2.789 1.00 0.00 N ATOM 732 CA VAL A 49 -10.141 7.241 -2.155 1.00 0.00 C ATOM 733 C VAL A 49 -9.015 7.672 -3.086 1.00 0.00 C ATOM 734 O VAL A 49 -8.199 8.497 -2.699 1.00 0.00 O ATOM 735 CB VAL A 49 -10.002 5.811 -1.589 1.00 0.00 C ATOM 736 CG1 VAL A 49 -8.660 5.117 -1.809 1.00 0.00 C ATOM 737 CG2 VAL A 49 -10.258 5.829 -0.078 1.00 0.00 C ATOM 0 H VAL A 49 -11.893 6.524 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.058 7.915 -1.302 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.739 5.238 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.688 4.121 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.465 5.033 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.868 5.700 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.160 4.819 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.532 6.482 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.265 6.199 0.116 1.00 0.00 H new ATOM 747 N LEU A 50 -8.977 7.147 -4.308 1.00 0.00 N ATOM 748 CA LEU A 50 -7.892 7.363 -5.267 1.00 0.00 C ATOM 749 C LEU A 50 -7.580 8.861 -5.438 1.00 0.00 C ATOM 750 O LEU A 50 -6.417 9.222 -5.276 1.00 0.00 O ATOM 751 CB LEU A 50 -8.311 6.717 -6.598 1.00 0.00 C ATOM 752 CG LEU A 50 -8.074 5.201 -6.723 1.00 0.00 C ATOM 753 CD1 LEU A 50 -8.013 4.803 -8.200 1.00 0.00 C ATOM 754 CD2 LEU A 50 -6.846 4.669 -5.987 1.00 0.00 C ATOM 0 H LEU A 50 -9.717 6.545 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.973 6.904 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.372 6.912 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.773 7.215 -7.405 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.926 4.736 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.845 3.729 -8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.954 5.061 -8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.196 5.336 -8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.769 3.592 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.951 5.155 -6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.941 4.880 -4.922 1.00 0.00 H new ATOM 766 N PRO A 51 -8.553 9.764 -5.687 1.00 0.00 N ATOM 767 CA PRO A 51 -8.254 11.185 -5.826 1.00 0.00 C ATOM 768 C PRO A 51 -7.724 11.853 -4.545 1.00 0.00 C ATOM 769 O PRO A 51 -7.228 12.974 -4.627 1.00 0.00 O ATOM 770 CB PRO A 51 -9.559 11.865 -6.249 1.00 0.00 C ATOM 771 CG PRO A 51 -10.599 10.763 -6.415 1.00 0.00 C ATOM 772 CD PRO A 51 -9.990 9.554 -5.721 1.00 0.00 C ATOM 0 HA PRO A 51 -7.453 11.293 -6.558 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.879 12.588 -5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.424 12.413 -7.182 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.550 11.043 -5.962 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.796 10.559 -7.467 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.388 9.447 -4.712 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.233 8.637 -6.258 1.00 0.00 H new ATOM 780 N GLN A 52 -7.868 11.239 -3.367 1.00 0.00 N ATOM 781 CA GLN A 52 -7.311 11.762 -2.120 1.00 0.00 C ATOM 782 C GLN A 52 -5.894 11.229 -1.885 1.00 0.00 C ATOM 783 O GLN A 52 -5.168 11.790 -1.065 1.00 0.00 O ATOM 784 CB GLN A 52 -8.201 11.371 -0.924 1.00 0.00 C ATOM 785 CG GLN A 52 -9.634 11.913 -1.012 1.00 0.00 C ATOM 786 CD GLN A 52 -10.458 11.475 0.200 1.00 0.00 C ATOM 787 OE1 GLN A 52 -10.392 12.070 1.268 1.00 0.00 O ATOM 788 NE2 GLN A 52 -11.258 10.434 0.057 1.00 0.00 N ATOM 0 H GLN A 52 -8.376 10.362 -3.253 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.273 12.848 -2.207 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.238 10.284 -0.851 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.740 11.736 -0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.613 13.001 -1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.107 11.556 -1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.305 9.946 -0.837 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.829 10.118 0.841 1.00 0.00 H new ATOM 797 N LEU A 53 -5.508 10.124 -2.531 1.00 0.00 N ATOM 798 CA LEU A 53 -4.207 9.492 -2.341 1.00 0.00 C ATOM 799 C LEU A 53 -3.173 10.276 -3.161 1.00 0.00 C ATOM 800 O LEU A 53 -3.529 11.195 -3.900 1.00 0.00 O ATOM 801 CB LEU A 53 -4.273 7.998 -2.727 1.00 0.00 C ATOM 802 CG LEU A 53 -5.098 7.012 -1.856 1.00 0.00 C ATOM 803 CD1 LEU A 53 -4.224 5.924 -1.225 1.00 0.00 C ATOM 804 CD2 LEU A 53 -5.831 7.582 -0.650 1.00 0.00 C ATOM 0 H LEU A 53 -6.100 9.641 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.908 9.519 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.665 7.941 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.249 7.625 -2.760 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.815 6.666 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.846 5.259 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.733 5.350 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.470 6.387 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.364 6.782 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.112 8.035 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.543 8.338 -0.981 1.00 0.00 H new ATOM 816 N GLU A 54 -1.888 9.939 -3.021 1.00 0.00 N ATOM 817 CA GLU A 54 -0.811 10.678 -3.671 1.00 0.00 C ATOM 818 C GLU A 54 -0.809 10.403 -5.167 1.00 0.00 C ATOM 819 O GLU A 54 -1.313 11.228 -5.929 1.00 0.00 O ATOM 820 CB GLU A 54 0.529 10.388 -2.980 1.00 0.00 C ATOM 821 CG GLU A 54 0.577 10.771 -1.491 1.00 0.00 C ATOM 822 CD GLU A 54 0.285 12.245 -1.156 1.00 0.00 C ATOM 823 OE1 GLU A 54 -0.850 12.724 -1.391 1.00 0.00 O ATOM 824 OE2 GLU A 54 1.133 12.900 -0.500 1.00 0.00 O ATOM 0 H GLU A 54 -1.570 9.151 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.977 11.750 -3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.750 9.325 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.318 10.926 -3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.140 10.150 -0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.566 10.522 -1.105 1.00 0.00 H new ATOM 831 N GLN A 55 -0.274 9.258 -5.597 1.00 0.00 N ATOM 832 CA GLN A 55 -0.385 8.798 -6.949 1.00 0.00 C ATOM 833 C GLN A 55 -0.023 7.321 -7.086 1.00 0.00 C ATOM 834 O GLN A 55 -0.848 6.604 -7.634 1.00 0.00 O ATOM 835 CB GLN A 55 0.464 9.649 -7.893 1.00 0.00 C ATOM 836 CG GLN A 55 -0.154 9.605 -9.273 1.00 0.00 C ATOM 837 CD GLN A 55 -1.472 10.334 -9.359 1.00 0.00 C ATOM 838 OE1 GLN A 55 -1.547 11.564 -9.367 1.00 0.00 O ATOM 839 NE2 GLN A 55 -2.513 9.543 -9.399 1.00 0.00 N ATOM 0 H GLN A 55 0.253 8.628 -4.993 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.432 8.906 -7.234 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.514 10.677 -7.534 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.486 9.273 -7.925 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.542 10.041 -9.990 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.302 8.565 -9.565 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.385 8.531 -9.390 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.452 9.938 -9.440 1.00 0.00 H new ATOM 848 N PRO A 56 1.166 6.816 -6.685 1.00 0.00 N ATOM 849 CA PRO A 56 1.474 5.425 -6.937 1.00 0.00 C ATOM 850 C PRO A 56 0.785 4.581 -5.880 1.00 0.00 C ATOM 851 O PRO A 56 1.346 4.271 -4.823 1.00 0.00 O ATOM 852 CB PRO A 56 2.978 5.282 -6.975 1.00 0.00 C ATOM 853 CG PRO A 56 3.473 6.447 -6.135 1.00 0.00 C ATOM 854 CD PRO A 56 2.333 7.474 -6.113 1.00 0.00 C ATOM 0 HA PRO A 56 1.101 5.072 -7.898 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.300 4.326 -6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.359 5.333 -7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.722 6.121 -5.125 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.378 6.879 -6.563 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.130 7.805 -5.095 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.599 8.360 -6.689 1.00 0.00 H new ATOM 862 N TYR A 57 -0.463 4.250 -6.184 1.00 0.00 N ATOM 863 CA TYR A 57 -1.349 3.529 -5.288 1.00 0.00 C ATOM 864 C TYR A 57 -0.948 2.046 -5.344 1.00 0.00 C ATOM 865 O TYR A 57 -1.267 1.343 -6.309 1.00 0.00 O ATOM 866 CB TYR A 57 -2.833 3.742 -5.665 1.00 0.00 C ATOM 867 CG TYR A 57 -3.229 5.085 -6.258 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.053 6.271 -5.517 1.00 0.00 C ATOM 869 CD2 TYR A 57 -3.794 5.139 -7.549 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.482 7.505 -6.044 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.172 6.380 -8.100 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.094 7.545 -7.312 1.00 0.00 C ATOM 873 OH TYR A 57 -4.656 8.701 -7.750 1.00 0.00 O ATOM 0 H TYR A 57 -0.894 4.481 -7.079 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.248 3.904 -4.269 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.112 2.966 -6.378 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.432 3.582 -4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.588 6.234 -4.543 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.937 4.230 -8.115 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.342 8.415 -5.479 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.520 6.437 -9.121 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.265 9.049 -7.065 1.00 0.00 H new ATOM 883 N VAL A 58 -0.187 1.588 -4.346 1.00 0.00 N ATOM 884 CA VAL A 58 0.255 0.201 -4.193 1.00 0.00 C ATOM 885 C VAL A 58 -0.951 -0.667 -3.837 1.00 0.00 C ATOM 886 O VAL A 58 -1.351 -0.732 -2.674 1.00 0.00 O ATOM 887 CB VAL A 58 1.377 0.085 -3.146 1.00 0.00 C ATOM 888 CG1 VAL A 58 1.924 -1.347 -3.077 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.538 1.022 -3.487 1.00 0.00 C ATOM 0 H VAL A 58 0.149 2.194 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 58 0.676 -0.153 -5.134 1.00 0.00 H new ATOM 0 HB VAL A 58 0.944 0.360 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.715 -1.399 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.120 -2.031 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.325 -1.630 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.319 0.923 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.942 0.760 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.181 2.052 -3.506 1.00 0.00 H new ATOM 899 N PHE A 59 -1.559 -1.307 -4.832 1.00 0.00 N ATOM 900 CA PHE A 59 -2.733 -2.133 -4.656 1.00 0.00 C ATOM 901 C PHE A 59 -2.385 -3.518 -4.148 1.00 0.00 C ATOM 902 O PHE A 59 -1.252 -3.991 -4.241 1.00 0.00 O ATOM 903 CB PHE A 59 -3.456 -2.267 -5.998 1.00 0.00 C ATOM 904 CG PHE A 59 -4.063 -1.029 -6.617 1.00 0.00 C ATOM 905 CD1 PHE A 59 -4.748 -0.102 -5.817 1.00 0.00 C ATOM 906 CD2 PHE A 59 -3.970 -0.815 -8.006 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.284 1.062 -6.389 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.570 0.321 -8.584 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.237 1.254 -7.776 1.00 0.00 C ATOM 0 H PHE A 59 -1.237 -1.260 -5.799 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.370 -1.652 -3.914 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.749 -2.684 -6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.253 -3.000 -5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.863 -0.285 -4.759 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.439 -1.521 -8.627 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.735 1.813 -5.757 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.516 0.474 -9.652 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.712 2.116 -8.221 1.00 0.00 H new ATOM 919 N ILE A 60 -3.428 -4.202 -3.691 1.00 0.00 N ATOM 920 CA ILE A 60 -3.390 -5.601 -3.332 1.00 0.00 C ATOM 921 C ILE A 60 -4.522 -6.291 -4.073 1.00 0.00 C ATOM 922 O ILE A 60 -5.667 -5.836 -4.030 1.00 0.00 O ATOM 923 CB ILE A 60 -3.447 -5.768 -1.804 1.00 0.00 C ATOM 924 CG1 ILE A 60 -4.781 -5.346 -1.166 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.223 -5.080 -1.199 1.00 0.00 C ATOM 926 CD1 ILE A 60 -4.899 -5.707 0.311 1.00 0.00 C ATOM 0 H ILE A 60 -4.347 -3.779 -3.559 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.453 -6.071 -3.630 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.409 -6.832 -1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.902 -4.268 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.599 -5.816 -1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.244 -5.187 -0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.316 -5.540 -1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.235 -4.022 -1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.866 -5.377 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.812 -6.787 0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.103 -5.215 0.871 1.00 0.00 H new ATOM 938 N LYS A 61 -4.217 -7.381 -4.767 1.00 0.00 N ATOM 939 CA LYS A 61 -5.206 -8.131 -5.532 1.00 0.00 C ATOM 940 C LYS A 61 -5.133 -9.596 -5.150 1.00 0.00 C ATOM 941 O LYS A 61 -4.046 -10.087 -4.835 1.00 0.00 O ATOM 942 CB LYS A 61 -5.002 -7.913 -7.043 1.00 0.00 C ATOM 943 CG LYS A 61 -3.565 -7.881 -7.574 1.00 0.00 C ATOM 944 CD LYS A 61 -3.471 -8.432 -9.019 1.00 0.00 C ATOM 945 CE LYS A 61 -4.318 -7.699 -10.047 1.00 0.00 C ATOM 946 NZ LYS A 61 -4.421 -8.465 -11.320 1.00 0.00 N ATOM 0 H LYS A 61 -3.275 -7.770 -4.815 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.206 -7.769 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.536 -8.703 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.479 -6.971 -7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.192 -6.857 -7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.923 -8.469 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.429 -8.396 -9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.766 -9.481 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.316 -7.529 -9.642 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.883 -6.719 -10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.631 -7.812 -12.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.520 -8.951 -11.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.183 -9.168 -11.241 1.00 0.00 H new ATOM 960 N ARG A 62 -6.275 -10.290 -5.134 1.00 0.00 N ATOM 961 CA ARG A 62 -6.339 -11.675 -4.673 1.00 0.00 C ATOM 962 C ARG A 62 -5.905 -12.654 -5.745 1.00 0.00 C ATOM 963 O ARG A 62 -6.705 -13.137 -6.536 1.00 0.00 O ATOM 964 CB ARG A 62 -7.671 -12.079 -4.062 1.00 0.00 C ATOM 965 CG ARG A 62 -8.860 -11.601 -4.877 1.00 0.00 C ATOM 966 CD ARG A 62 -10.069 -12.487 -4.551 1.00 0.00 C ATOM 967 NE ARG A 62 -11.367 -11.801 -4.522 1.00 0.00 N ATOM 968 CZ ARG A 62 -12.556 -12.402 -4.663 1.00 0.00 C ATOM 969 NH1 ARG A 62 -12.667 -13.705 -4.900 1.00 0.00 N ATOM 970 NH2 ARG A 62 -13.666 -11.693 -4.530 1.00 0.00 N ATOM 0 H ARG A 62 -7.171 -9.910 -5.438 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.620 -11.722 -3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.710 -13.165 -3.972 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.741 -11.673 -3.053 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.082 -10.559 -4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.632 -11.650 -5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.118 -13.289 -5.287 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.903 -12.955 -3.580 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.363 -10.790 -4.384 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.830 -14.282 -4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.590 -14.128 -5.002 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.612 -10.696 -4.322 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.575 -12.144 -4.636 1.00 0.00 H new ATOM 984 N SER A 63 -4.603 -12.890 -5.684 1.00 0.00 N ATOM 985 CA SER A 63 -3.769 -13.785 -6.483 1.00 0.00 C ATOM 986 C SER A 63 -4.406 -14.058 -7.825 1.00 0.00 C ATOM 987 O SER A 63 -5.141 -15.023 -8.023 1.00 0.00 O ATOM 988 CB SER A 63 -3.442 -15.064 -5.748 1.00 0.00 C ATOM 989 OG SER A 63 -2.278 -15.675 -6.275 1.00 0.00 O ATOM 0 H SER A 63 -4.036 -12.402 -4.991 1.00 0.00 H new ATOM 0 HA SER A 63 -2.820 -13.278 -6.660 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.296 -14.851 -4.689 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.283 -15.754 -5.821 1.00 0.00 H new ATOM 0 HG SER A 63 -2.445 -15.953 -7.200 1.00 0.00 H new ATOM 995 N ASP A 64 -4.143 -13.139 -8.729 1.00 0.00 N ATOM 996 CA ASP A 64 -4.698 -13.095 -10.046 1.00 0.00 C ATOM 997 C ASP A 64 -4.389 -14.388 -10.783 1.00 0.00 C ATOM 998 O ASP A 64 -5.311 -15.029 -11.283 1.00 0.00 O ATOM 999 CB ASP A 64 -4.128 -11.847 -10.717 1.00 0.00 C ATOM 1000 CG ASP A 64 -4.067 -11.940 -12.226 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -5.100 -11.688 -12.876 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -2.945 -12.144 -12.747 1.00 0.00 O ATOM 0 H ASP A 64 -3.502 -12.367 -8.546 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.786 -13.023 -10.042 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.737 -10.986 -10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.124 -11.665 -10.332 1.00 0.00 H new ATOM 1007 N ALA A 65 -3.137 -14.840 -10.710 1.00 0.00 N ATOM 1008 CA ALA A 65 -2.862 -16.253 -10.856 1.00 0.00 C ATOM 1009 C ALA A 65 -3.430 -16.973 -9.634 1.00 0.00 C ATOM 1010 O ALA A 65 -2.855 -16.924 -8.544 1.00 0.00 O ATOM 1011 CB ALA A 65 -1.373 -16.512 -11.002 1.00 0.00 C ATOM 0 H ALA A 65 -2.317 -14.254 -10.553 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.334 -16.630 -11.763 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.199 -17.583 -11.110 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.998 -15.993 -11.884 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.852 -16.147 -10.117 1.00 0.00 H new ATOM 1017 N LEU A 66 -4.598 -17.586 -9.799 1.00 0.00 N ATOM 1018 CA LEU A 66 -5.248 -18.390 -8.776 1.00 0.00 C ATOM 1019 C LEU A 66 -4.334 -19.554 -8.402 1.00 0.00 C ATOM 1020 O LEU A 66 -4.196 -20.490 -9.189 1.00 0.00 O ATOM 1021 CB LEU A 66 -6.633 -18.904 -9.213 1.00 0.00 C ATOM 1022 CG LEU A 66 -6.817 -19.202 -10.714 1.00 0.00 C ATOM 1023 CD1 LEU A 66 -7.676 -20.448 -10.917 1.00 0.00 C ATOM 1024 CD2 LEU A 66 -7.491 -18.002 -11.384 1.00 0.00 C ATOM 0 H LEU A 66 -5.129 -17.535 -10.668 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.420 -17.754 -7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.849 -19.815 -8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.379 -18.166 -8.918 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.839 -19.381 -11.160 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.793 -20.640 -11.984 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.193 -21.304 -10.445 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.656 -20.291 -10.467 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.624 -18.206 -12.446 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.463 -17.827 -10.923 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.866 -17.118 -11.260 1.00 0.00 H new ATOM 1036 N SER A 67 -3.741 -19.511 -7.212 1.00 0.00 N ATOM 1037 CA SER A 67 -2.836 -20.521 -6.692 1.00 0.00 C ATOM 1038 C SER A 67 -3.623 -21.679 -6.060 1.00 0.00 C ATOM 1039 O SER A 67 -3.839 -22.713 -6.702 1.00 0.00 O ATOM 1040 CB SER A 67 -1.860 -19.828 -5.723 1.00 0.00 C ATOM 1041 OG SER A 67 -2.532 -18.861 -4.931 1.00 0.00 O ATOM 0 H SER A 67 -3.886 -18.739 -6.561 1.00 0.00 H new ATOM 0 HA SER A 67 -2.250 -20.978 -7.489 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.393 -20.572 -5.077 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.060 -19.349 -6.287 1.00 0.00 H new ATOM 0 HG SER A 67 -2.212 -18.916 -4.006 1.00 0.00 H new ATOM 1047 N THR A 68 -4.082 -21.517 -4.818 1.00 0.00 N ATOM 1048 CA THR A 68 -4.764 -22.558 -4.049 1.00 0.00 C ATOM 1049 C THR A 68 -6.069 -22.955 -4.750 1.00 0.00 C ATOM 1050 O THR A 68 -6.640 -22.166 -5.509 1.00 0.00 O ATOM 1051 CB THR A 68 -5.018 -22.012 -2.629 1.00 0.00 C ATOM 1052 OG1 THR A 68 -3.805 -21.479 -2.125 1.00 0.00 O ATOM 1053 CG2 THR A 68 -5.536 -22.999 -1.580 1.00 0.00 C ATOM 0 H THR A 68 -3.988 -20.639 -4.308 1.00 0.00 H new ATOM 0 HA THR A 68 -4.152 -23.457 -3.980 1.00 0.00 H new ATOM 0 HB THR A 68 -5.816 -21.283 -2.770 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.953 -21.126 -1.223 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.670 -22.483 -0.629 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.491 -23.410 -1.908 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.816 -23.808 -1.455 1.00 0.00 H new ATOM 1061 N ASN A 69 -6.568 -24.166 -4.472 1.00 0.00 N ATOM 1062 CA ASN A 69 -7.925 -24.571 -4.844 1.00 0.00 C ATOM 1063 C ASN A 69 -8.941 -23.544 -4.332 1.00 0.00 C ATOM 1064 O ASN A 69 -9.602 -22.890 -5.137 1.00 0.00 O ATOM 1065 CB ASN A 69 -8.251 -26.024 -4.436 1.00 0.00 C ATOM 1066 CG ASN A 69 -7.759 -26.473 -3.064 1.00 0.00 C ATOM 1067 OD1 ASN A 69 -7.862 -25.748 -2.074 1.00 0.00 O ATOM 1068 ND2 ASN A 69 -7.168 -27.651 -2.976 1.00 0.00 N ATOM 0 H ASN A 69 -6.041 -24.890 -3.983 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.992 -24.578 -5.932 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.333 -26.153 -4.469 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.827 -26.692 -5.186 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.792 -27.967 -2.082 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.088 -28.244 -3.802 1.00 0.00 H new ATOM 1075 N HIS A 70 -9.018 -23.307 -3.023 1.00 0.00 N ATOM 1076 CA HIS A 70 -9.692 -22.137 -2.478 1.00 0.00 C ATOM 1077 C HIS A 70 -9.005 -21.678 -1.199 1.00 0.00 C ATOM 1078 O HIS A 70 -8.302 -20.672 -1.215 1.00 0.00 O ATOM 1079 CB HIS A 70 -11.187 -22.417 -2.260 1.00 0.00 C ATOM 1080 CG HIS A 70 -11.896 -21.308 -1.526 1.00 0.00 C ATOM 1081 ND1 HIS A 70 -12.640 -21.437 -0.370 1.00 0.00 N ATOM 1082 CD2 HIS A 70 -11.863 -19.981 -1.859 1.00 0.00 C ATOM 1083 CE1 HIS A 70 -13.090 -20.217 -0.033 1.00 0.00 C ATOM 1084 NE2 HIS A 70 -12.627 -19.299 -0.904 1.00 0.00 N ATOM 0 H HIS A 70 -8.615 -23.921 -2.315 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.622 -21.324 -3.200 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.667 -22.569 -3.227 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.299 -23.345 -1.699 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.346 -19.543 -2.700 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -13.729 -20.003 0.811 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.801 -18.294 -0.873 1.00 0.00 H new ATOM 1092 N GLY A 71 -9.230 -22.402 -0.109 1.00 0.00 N ATOM 1093 CA GLY A 71 -8.789 -22.122 1.240 1.00 0.00 C ATOM 1094 C GLY A 71 -9.049 -20.691 1.697 1.00 0.00 C ATOM 1095 O GLY A 71 -10.078 -20.406 2.310 1.00 0.00 O ATOM 0 H GLY A 71 -9.769 -23.267 -0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.290 -22.807 1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.721 -22.326 1.311 1.00 0.00 H new ATOM 1099 N HIS A 72 -8.090 -19.798 1.463 1.00 0.00 N ATOM 1100 CA HIS A 72 -8.004 -18.470 2.063 1.00 0.00 C ATOM 1101 C HIS A 72 -7.815 -17.474 0.932 1.00 0.00 C ATOM 1102 O HIS A 72 -6.939 -17.696 0.095 1.00 0.00 O ATOM 1103 CB HIS A 72 -6.804 -18.391 3.025 1.00 0.00 C ATOM 1104 CG HIS A 72 -6.763 -19.393 4.158 1.00 0.00 C ATOM 1105 ND1 HIS A 72 -6.858 -20.768 4.071 1.00 0.00 N ATOM 1106 CD2 HIS A 72 -6.501 -19.084 5.463 1.00 0.00 C ATOM 1107 CE1 HIS A 72 -6.681 -21.273 5.299 1.00 0.00 C ATOM 1108 NE2 HIS A 72 -6.409 -20.287 6.172 1.00 0.00 N ATOM 0 H HIS A 72 -7.319 -19.989 0.823 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.908 -18.253 2.631 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -5.892 -18.505 2.439 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -6.782 -17.391 3.457 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.386 -18.091 5.873 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.747 -22.321 5.552 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -6.180 -20.395 7.160 1.00 0.00 H new ATOM 1116 N LYS A 73 -8.584 -16.384 0.896 1.00 0.00 N ATOM 1117 CA LYS A 73 -8.400 -15.338 -0.107 1.00 0.00 C ATOM 1118 C LYS A 73 -7.102 -14.591 0.194 1.00 0.00 C ATOM 1119 O LYS A 73 -7.069 -13.718 1.072 1.00 0.00 O ATOM 1120 CB LYS A 73 -9.628 -14.417 -0.200 1.00 0.00 C ATOM 1121 CG LYS A 73 -10.884 -15.222 -0.590 1.00 0.00 C ATOM 1122 CD LYS A 73 -11.929 -14.428 -1.381 1.00 0.00 C ATOM 1123 CE LYS A 73 -12.669 -13.415 -0.508 1.00 0.00 C ATOM 1124 NZ LYS A 73 -13.653 -12.654 -1.301 1.00 0.00 N ATOM 0 H LYS A 73 -9.343 -16.204 1.554 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.310 -15.785 -1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.790 -13.921 0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.447 -13.635 -0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.578 -16.085 -1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.349 -15.607 0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.440 -13.907 -2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.648 -15.118 -1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.175 -13.933 0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.954 -12.729 -0.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.154 -11.985 -0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.162 -12.130 -2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.338 -13.311 -1.727 1.00 0.00 H new ATOM 1138 N VAL A 74 -6.016 -15.013 -0.445 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.693 -14.406 -0.339 1.00 0.00 C ATOM 1140 C VAL A 74 -4.664 -13.090 -1.119 1.00 0.00 C ATOM 1141 O VAL A 74 -5.623 -12.796 -1.827 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.620 -15.417 -0.819 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -3.923 -16.840 -0.321 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -3.438 -15.471 -2.331 1.00 0.00 C ATOM 0 H VAL A 74 -6.033 -15.816 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.465 -14.164 0.699 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.692 -15.045 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.151 -17.522 -0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.941 -16.848 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.893 -17.160 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.669 -16.203 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.379 -15.759 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.136 -14.490 -2.696 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.569 -12.331 -1.055 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.265 -11.282 -2.020 1.00 0.00 C ATOM 1156 C VAL A 75 -1.793 -11.324 -2.424 1.00 0.00 C ATOM 1157 O VAL A 75 -1.017 -12.182 -1.983 1.00 0.00 O ATOM 1158 CB VAL A 75 -3.724 -9.885 -1.537 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.238 -9.761 -1.404 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.086 -9.466 -0.213 1.00 0.00 C ATOM 0 H VAL A 75 -2.864 -12.431 -0.324 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.847 -11.479 -2.920 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.382 -9.213 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.492 -8.758 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.704 -9.943 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.601 -10.493 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.449 -8.478 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.351 -10.185 0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.002 -9.436 -0.325 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.422 -10.402 -3.305 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.057 -10.108 -3.694 1.00 0.00 C ATOM 1172 C GLU A 76 0.009 -8.602 -3.981 1.00 0.00 C ATOM 1173 O GLU A 76 -1.039 -7.949 -4.083 1.00 0.00 O ATOM 1174 CB GLU A 76 0.325 -10.959 -4.897 1.00 0.00 C ATOM 1175 CG GLU A 76 -0.276 -10.503 -6.216 1.00 0.00 C ATOM 1176 CD GLU A 76 -0.012 -11.536 -7.306 1.00 0.00 C ATOM 1177 OE1 GLU A 76 1.175 -11.775 -7.633 1.00 0.00 O ATOM 1178 OE2 GLU A 76 -0.989 -12.154 -7.774 1.00 0.00 O ATOM 0 H GLU A 76 -2.101 -9.814 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 76 0.660 -10.351 -2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.411 -10.964 -4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.017 -11.988 -4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.349 -10.353 -6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.151 -9.543 -6.505 1.00 0.00 H new ATOM 1185 N LEU A 77 1.218 -8.068 -4.143 1.00 0.00 N ATOM 1186 CA LEU A 77 1.450 -6.641 -4.391 1.00 0.00 C ATOM 1187 C LEU A 77 1.220 -6.294 -5.860 1.00 0.00 C ATOM 1188 O LEU A 77 1.652 -7.032 -6.749 1.00 0.00 O ATOM 1189 CB LEU A 77 2.902 -6.274 -4.030 1.00 0.00 C ATOM 1190 CG LEU A 77 3.143 -6.141 -2.517 1.00 0.00 C ATOM 1191 CD1 LEU A 77 4.640 -6.158 -2.217 1.00 0.00 C ATOM 1192 CD2 LEU A 77 2.573 -4.836 -1.955 1.00 0.00 C ATOM 0 H LEU A 77 2.076 -8.618 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 77 0.749 -6.080 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.571 -7.035 -4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.162 -5.333 -4.515 1.00 0.00 H new ATOM 0 HG LEU A 77 2.638 -6.985 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.797 -6.063 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.070 -7.097 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.123 -5.326 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.767 -4.786 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.048 -3.989 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.498 -4.803 -2.131 1.00 0.00 H new ATOM 1204 N VAL A 78 0.627 -5.125 -6.106 1.00 0.00 N ATOM 1205 CA VAL A 78 0.585 -4.396 -7.373 1.00 0.00 C ATOM 1206 C VAL A 78 0.804 -2.916 -7.023 1.00 0.00 C ATOM 1207 O VAL A 78 0.799 -2.536 -5.857 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.751 -4.687 -8.102 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -1.108 -3.866 -9.340 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -0.799 -6.148 -8.537 1.00 0.00 C ATOM 0 H VAL A 78 0.127 -4.627 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 78 1.361 -4.707 -8.073 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.478 -4.404 -7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.072 -4.194 -9.729 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.165 -2.811 -9.073 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.342 -4.006 -10.103 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.741 -6.345 -9.049 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.031 -6.354 -9.213 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.721 -6.791 -7.661 1.00 0.00 H new ATOM 1220 N ALA A 79 1.006 -2.072 -8.025 1.00 0.00 N ATOM 1221 CA ALA A 79 1.187 -0.628 -7.927 1.00 0.00 C ATOM 1222 C ALA A 79 0.905 -0.082 -9.325 1.00 0.00 C ATOM 1223 O ALA A 79 1.344 -0.684 -10.308 1.00 0.00 O ATOM 1224 CB ALA A 79 2.609 -0.310 -7.435 1.00 0.00 C ATOM 0 H ALA A 79 1.051 -2.397 -8.991 1.00 0.00 H new ATOM 0 HA ALA A 79 0.516 -0.164 -7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.737 0.770 -7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.763 -0.759 -6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.336 -0.716 -8.138 1.00 0.00 H new ATOM 1230 N GLU A 80 0.165 1.018 -9.428 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.015 1.821 -10.637 1.00 0.00 C ATOM 1232 C GLU A 80 -0.029 3.290 -10.210 1.00 0.00 C ATOM 1233 O GLU A 80 -0.168 3.575 -9.024 1.00 0.00 O ATOM 1234 CB GLU A 80 -1.289 1.427 -11.408 1.00 0.00 C ATOM 1235 CG GLU A 80 -1.166 0.159 -12.254 1.00 0.00 C ATOM 1236 CD GLU A 80 -0.063 0.178 -13.322 1.00 0.00 C ATOM 1237 OE1 GLU A 80 0.361 1.266 -13.780 1.00 0.00 O ATOM 1238 OE2 GLU A 80 0.363 -0.919 -13.751 1.00 0.00 O ATOM 0 H GLU A 80 -0.351 1.393 -8.633 1.00 0.00 H new ATOM 0 HA GLU A 80 0.805 1.642 -11.333 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.101 1.292 -10.693 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.572 2.254 -12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.987 -0.685 -11.588 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.121 -0.021 -12.747 1.00 0.00 H new ATOM 1245 N MET A 81 0.105 4.202 -11.165 1.00 0.00 N ATOM 1246 CA MET A 81 0.156 5.644 -11.012 1.00 0.00 C ATOM 1247 C MET A 81 -1.236 6.239 -11.228 1.00 0.00 C ATOM 1248 O MET A 81 -1.803 6.851 -10.329 1.00 0.00 O ATOM 1249 CB MET A 81 1.240 6.147 -11.986 1.00 0.00 C ATOM 1250 CG MET A 81 0.945 7.488 -12.647 1.00 0.00 C ATOM 1251 SD MET A 81 2.310 8.086 -13.673 1.00 0.00 S ATOM 1252 CE MET A 81 3.305 8.899 -12.396 1.00 0.00 C ATOM 0 H MET A 81 0.187 3.926 -12.144 1.00 0.00 H new ATOM 0 HA MET A 81 0.433 5.963 -10.007 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.183 6.226 -11.446 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.381 5.399 -12.766 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.050 7.395 -13.262 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.727 8.227 -11.876 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.197 9.330 -12.850 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.719 9.689 -11.926 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.598 8.168 -11.643 1.00 0.00 H new ATOM 1262 N ASP A 82 -1.830 6.039 -12.402 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.166 6.579 -12.700 1.00 0.00 C ATOM 1264 C ASP A 82 -4.232 5.562 -12.270 1.00 0.00 C ATOM 1265 O ASP A 82 -5.383 5.611 -12.704 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.235 6.921 -14.196 1.00 0.00 C ATOM 1267 CG ASP A 82 -4.086 8.159 -14.508 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -5.334 8.102 -14.513 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -3.490 9.214 -14.839 1.00 0.00 O ATOM 0 H ASP A 82 -1.412 5.508 -13.166 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.357 7.496 -12.142 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.224 7.083 -14.569 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.641 6.066 -14.737 1.00 0.00 H new ATOM 1274 N GLY A 83 -3.808 4.566 -11.479 1.00 0.00 N ATOM 1275 CA GLY A 83 -4.500 3.326 -11.222 1.00 0.00 C ATOM 1276 C GLY A 83 -5.037 2.757 -12.526 1.00 0.00 C ATOM 1277 O GLY A 83 -6.245 2.624 -12.682 1.00 0.00 O ATOM 0 H GLY A 83 -2.920 4.622 -10.980 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.823 2.611 -10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.319 3.494 -10.523 1.00 0.00 H new ATOM 1281 N ILE A 84 -4.118 2.471 -13.456 1.00 0.00 N ATOM 1282 CA ILE A 84 -4.221 1.593 -14.626 1.00 0.00 C ATOM 1283 C ILE A 84 -4.987 0.289 -14.412 1.00 0.00 C ATOM 1284 O ILE A 84 -4.393 -0.782 -14.291 1.00 0.00 O ATOM 1285 CB ILE A 84 -2.952 1.501 -15.499 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -2.694 2.911 -16.066 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -3.174 0.508 -16.661 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -1.469 3.022 -16.964 1.00 0.00 C ATOM 0 H ILE A 84 -3.190 2.892 -13.401 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.903 2.142 -15.275 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.104 1.149 -14.911 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.571 3.227 -16.631 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.582 3.607 -15.235 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.271 0.452 -17.269 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.401 -0.479 -16.258 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.006 0.849 -17.277 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.368 4.049 -17.316 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.579 2.742 -16.401 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.583 2.355 -17.819 1.00 0.00 H new ATOM 1300 N GLN A 85 -6.283 0.398 -14.169 1.00 0.00 N ATOM 1301 CA GLN A 85 -7.248 -0.674 -14.024 1.00 0.00 C ATOM 1302 C GLN A 85 -7.238 -1.005 -12.533 1.00 0.00 C ATOM 1303 O GLN A 85 -7.065 -0.096 -11.715 1.00 0.00 O ATOM 1304 CB GLN A 85 -7.019 -1.865 -14.992 1.00 0.00 C ATOM 1305 CG GLN A 85 -6.816 -1.428 -16.454 1.00 0.00 C ATOM 1306 CD GLN A 85 -6.671 -2.597 -17.422 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -7.657 -3.030 -18.016 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -5.467 -3.082 -17.672 1.00 0.00 N ATOM 0 H GLN A 85 -6.720 1.313 -14.060 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.250 -0.375 -14.332 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.146 -2.429 -14.664 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.874 -2.539 -14.936 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.662 -0.814 -16.762 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.927 -0.801 -16.518 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.656 -2.716 -17.174 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.349 -3.823 -18.363 1.00 0.00 H new ATOM 1317 N TYR A 86 -7.361 -2.280 -12.167 1.00 0.00 N ATOM 1318 CA TYR A 86 -7.170 -2.789 -10.816 1.00 0.00 C ATOM 1319 C TYR A 86 -8.128 -2.174 -9.778 1.00 0.00 C ATOM 1320 O TYR A 86 -9.090 -2.833 -9.378 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.706 -2.607 -10.383 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.626 -3.273 -11.218 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -4.646 -4.663 -11.435 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.536 -2.514 -11.691 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -3.553 -5.281 -12.069 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -2.450 -3.137 -12.336 1.00 0.00 C ATOM 1327 CZ TYR A 86 -2.448 -4.533 -12.509 1.00 0.00 C ATOM 1328 OH TYR A 86 -1.378 -5.201 -13.014 1.00 0.00 O ATOM 0 H TYR A 86 -7.606 -3.013 -12.832 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.414 -3.851 -10.850 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.496 -1.538 -10.357 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.612 -2.975 -9.361 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.494 -5.251 -11.117 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.534 -1.442 -11.557 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.563 -6.350 -12.220 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.622 -2.545 -12.696 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.687 -4.559 -13.280 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.841 -0.974 -9.264 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.471 -0.369 -8.095 1.00 0.00 C ATOM 1340 C GLY A 87 -9.966 -0.103 -8.273 1.00 0.00 C ATOM 1341 O GLY A 87 -10.698 0.061 -7.294 1.00 0.00 O ATOM 0 H GLY A 87 -7.128 -0.372 -9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.327 -1.024 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.968 0.571 -7.867 1.00 0.00 H new ATOM 1345 N ARG A 88 -10.452 -0.095 -9.511 1.00 0.00 N ATOM 1346 CA ARG A 88 -11.871 0.023 -9.830 1.00 0.00 C ATOM 1347 C ARG A 88 -12.448 -1.256 -10.431 1.00 0.00 C ATOM 1348 O ARG A 88 -13.439 -1.194 -11.172 1.00 0.00 O ATOM 1349 CB ARG A 88 -12.108 1.311 -10.645 1.00 0.00 C ATOM 1350 CG ARG A 88 -13.107 2.239 -9.944 1.00 0.00 C ATOM 1351 CD ARG A 88 -12.557 2.894 -8.662 1.00 0.00 C ATOM 1352 NE ARG A 88 -12.804 2.087 -7.454 1.00 0.00 N ATOM 1353 CZ ARG A 88 -13.945 2.054 -6.751 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -15.002 2.786 -7.089 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -14.060 1.272 -5.690 1.00 0.00 N ATOM 0 H ARG A 88 -9.858 -0.172 -10.337 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.447 0.132 -8.911 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.162 1.833 -10.787 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.482 1.053 -11.636 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.410 3.022 -10.639 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.003 1.670 -9.694 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.484 3.054 -8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.014 3.876 -8.537 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.038 1.501 -7.123 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.960 3.396 -7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.855 2.737 -6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.276 0.687 -5.400 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.932 1.254 -5.162 1.00 0.00 H new ATOM 1369 N SER A 89 -11.886 -2.423 -10.097 1.00 0.00 N ATOM 1370 CA SER A 89 -12.396 -3.712 -10.536 1.00 0.00 C ATOM 1371 C SER A 89 -12.537 -4.714 -9.383 1.00 0.00 C ATOM 1372 O SER A 89 -11.948 -4.556 -8.306 1.00 0.00 O ATOM 1373 CB SER A 89 -11.480 -4.266 -11.630 1.00 0.00 C ATOM 1374 OG SER A 89 -12.231 -5.155 -12.430 1.00 0.00 O ATOM 0 H SER A 89 -11.056 -2.492 -9.508 1.00 0.00 H new ATOM 0 HA SER A 89 -13.400 -3.561 -10.933 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.080 -3.454 -12.238 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.628 -4.782 -11.187 1.00 0.00 H new ATOM 0 HG SER A 89 -11.660 -5.519 -13.139 1.00 0.00 H new ATOM 1380 N GLY A 90 -13.315 -5.773 -9.627 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.590 -6.858 -8.697 1.00 0.00 C ATOM 1382 C GLY A 90 -12.428 -7.842 -8.698 1.00 0.00 C ATOM 1383 O GLY A 90 -12.418 -8.794 -9.481 1.00 0.00 O ATOM 0 H GLY A 90 -13.789 -5.897 -10.521 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.741 -6.460 -7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.511 -7.368 -8.980 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.425 -7.560 -7.865 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.229 -8.355 -7.586 1.00 0.00 C ATOM 1389 C ILE A 91 -9.391 -7.632 -6.527 1.00 0.00 C ATOM 1390 O ILE A 91 -8.858 -8.250 -5.602 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.427 -8.676 -8.871 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.033 -9.202 -8.515 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -9.298 -7.482 -9.844 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -7.392 -10.084 -9.589 1.00 0.00 C ATOM 0 H ILE A 91 -11.429 -6.696 -7.323 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.526 -9.326 -7.190 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.000 -9.443 -9.392 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.377 -8.353 -8.321 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.100 -9.771 -7.588 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.723 -7.786 -10.719 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -10.291 -7.158 -10.156 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.789 -6.658 -9.344 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.408 -10.411 -9.252 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.022 -10.955 -9.768 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.288 -9.515 -10.513 1.00 0.00 H new ATOM 1406 N THR A 92 -9.256 -6.318 -6.660 1.00 0.00 N ATOM 1407 CA THR A 92 -8.361 -5.529 -5.838 1.00 0.00 C ATOM 1408 C THR A 92 -9.065 -5.183 -4.524 1.00 0.00 C ATOM 1409 O THR A 92 -10.246 -4.819 -4.550 1.00 0.00 O ATOM 1410 CB THR A 92 -7.969 -4.278 -6.622 1.00 0.00 C ATOM 1411 OG1 THR A 92 -7.741 -4.621 -7.973 1.00 0.00 O ATOM 1412 CG2 THR A 92 -6.696 -3.672 -6.050 1.00 0.00 C ATOM 0 H THR A 92 -9.771 -5.770 -7.349 1.00 0.00 H new ATOM 0 HA THR A 92 -7.454 -6.082 -5.593 1.00 0.00 H new ATOM 0 HB THR A 92 -8.779 -3.553 -6.548 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.466 -4.265 -8.528 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.429 -2.781 -6.619 1.00 0.00 H new ATOM 0 HG22 THR A 92 -6.859 -3.401 -5.007 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.886 -4.399 -6.114 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.394 -5.311 -3.377 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.035 -5.139 -2.070 1.00 0.00 C ATOM 1422 C LEU A 93 -8.819 -3.727 -1.529 1.00 0.00 C ATOM 1423 O LEU A 93 -9.760 -3.107 -1.020 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.550 -6.168 -1.043 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.497 -7.624 -1.532 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -8.073 -8.493 -0.352 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -9.837 -8.125 -2.079 1.00 0.00 C ATOM 0 H LEU A 93 -7.400 -5.535 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.101 -5.301 -2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.553 -5.879 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.203 -6.120 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.787 -7.681 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.026 -9.536 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.092 -8.175 -0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.799 -8.390 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.732 -9.159 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.594 -8.068 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.140 -7.505 -2.923 1.00 0.00 H new ATOM 1439 N GLY A 94 -7.591 -3.215 -1.601 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.241 -1.907 -1.074 1.00 0.00 C ATOM 1441 C GLY A 94 -5.975 -1.388 -1.737 1.00 0.00 C ATOM 1442 O GLY A 94 -5.495 -1.966 -2.717 1.00 0.00 O ATOM 0 H GLY A 94 -6.807 -3.705 -2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.060 -1.209 -1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.094 -1.970 0.004 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.459 -0.302 -1.172 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.132 0.250 -1.379 1.00 0.00 C ATOM 1448 C VAL A 95 -3.414 0.124 -0.029 1.00 0.00 C ATOM 1449 O VAL A 95 -4.064 0.099 1.024 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.236 1.708 -1.872 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -2.851 2.332 -2.044 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -4.950 1.883 -3.206 1.00 0.00 C ATOM 0 H VAL A 95 -6.000 0.254 -0.509 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.570 -0.279 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.822 2.198 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.956 3.360 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.327 2.324 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.281 1.758 -2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.974 2.940 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.418 1.328 -3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.970 1.506 -3.125 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.099 -0.102 -0.029 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.290 -0.165 1.180 1.00 0.00 C ATOM 1464 C LEU A 96 -0.723 1.209 1.448 1.00 0.00 C ATOM 1465 O LEU A 96 -0.396 1.939 0.517 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.117 -1.136 1.017 1.00 0.00 C ATOM 1467 CG LEU A 96 -0.531 -2.604 0.918 1.00 0.00 C ATOM 1468 CD1 LEU A 96 0.700 -3.459 0.619 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -1.254 -3.159 2.149 1.00 0.00 C ATOM 0 H LEU A 96 -1.562 -0.248 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.922 -0.509 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.442 -0.866 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.560 -1.017 1.863 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.259 -2.651 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.407 -4.506 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.143 -3.141 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.429 -3.340 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.506 -4.206 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.604 -3.077 3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.167 -2.589 2.322 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.527 1.515 2.720 1.00 0.00 N ATOM 1482 CA VAL A 97 0.075 2.756 3.196 1.00 0.00 C ATOM 1483 C VAL A 97 1.038 2.422 4.338 1.00 0.00 C ATOM 1484 O VAL A 97 0.876 1.372 4.967 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.027 3.752 3.623 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -1.754 4.283 2.372 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -2.007 3.136 4.645 1.00 0.00 C ATOM 0 H VAL A 97 -0.791 0.886 3.478 1.00 0.00 H new ATOM 0 HA VAL A 97 0.642 3.241 2.401 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.555 4.591 4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.531 4.985 2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.039 4.789 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.207 3.450 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.763 3.874 4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.491 2.264 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.460 2.835 5.538 1.00 0.00 H new ATOM 1497 N PRO A 98 2.036 3.265 4.626 1.00 0.00 N ATOM 1498 CA PRO A 98 2.846 3.107 5.821 1.00 0.00 C ATOM 1499 C PRO A 98 1.955 3.404 7.021 1.00 0.00 C ATOM 1500 O PRO A 98 1.341 4.466 7.073 1.00 0.00 O ATOM 1501 CB PRO A 98 4.016 4.076 5.664 1.00 0.00 C ATOM 1502 CG PRO A 98 3.588 5.080 4.598 1.00 0.00 C ATOM 1503 CD PRO A 98 2.374 4.482 3.902 1.00 0.00 C ATOM 0 HA PRO A 98 3.248 2.105 5.969 1.00 0.00 H new ATOM 0 HB2 PRO A 98 4.237 4.577 6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.922 3.549 5.363 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.342 6.042 5.048 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.394 5.258 3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.539 5.182 3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.595 4.262 2.858 1.00 0.00 H new ATOM 1511 N HIS A 99 1.807 2.458 7.954 1.00 0.00 N ATOM 1512 CA HIS A 99 1.066 2.685 9.188 1.00 0.00 C ATOM 1513 C HIS A 99 1.929 3.578 10.074 1.00 0.00 C ATOM 1514 O HIS A 99 2.943 3.104 10.583 1.00 0.00 O ATOM 1515 CB HIS A 99 0.704 1.373 9.917 1.00 0.00 C ATOM 1516 CG HIS A 99 0.114 1.606 11.299 1.00 0.00 C ATOM 1517 ND1 HIS A 99 0.397 0.891 12.448 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.739 2.622 11.660 1.00 0.00 C ATOM 1519 CE1 HIS A 99 -0.273 1.459 13.466 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -0.948 2.542 13.040 1.00 0.00 N ATOM 0 H HIS A 99 2.197 1.519 7.871 1.00 0.00 H new ATOM 0 HA HIS A 99 0.114 3.161 8.954 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -0.010 0.813 9.313 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.598 0.756 10.009 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.172 3.354 10.994 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.270 1.097 14.483 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -1.503 3.179 13.611 1.00 0.00 H new ATOM 1528 N VAL A 100 1.502 4.817 10.332 1.00 0.00 N ATOM 1529 CA VAL A 100 2.240 5.778 11.159 1.00 0.00 C ATOM 1530 C VAL A 100 1.364 6.342 12.289 1.00 0.00 C ATOM 1531 O VAL A 100 1.472 7.507 12.676 1.00 0.00 O ATOM 1532 CB VAL A 100 2.881 6.856 10.263 1.00 0.00 C ATOM 1533 CG1 VAL A 100 3.978 6.245 9.387 1.00 0.00 C ATOM 1534 CG2 VAL A 100 1.853 7.559 9.373 1.00 0.00 C ATOM 0 H VAL A 100 0.623 5.186 9.968 1.00 0.00 H new ATOM 0 HA VAL A 100 3.057 5.267 11.668 1.00 0.00 H new ATOM 0 HB VAL A 100 3.314 7.601 10.930 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.419 7.021 8.762 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.749 5.809 10.021 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.548 5.469 8.753 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.354 8.309 8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.370 6.826 8.726 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.102 8.043 9.997 1.00 0.00 H new ATOM 1544 N GLY A 101 0.535 5.488 12.891 1.00 0.00 N ATOM 1545 CA GLY A 101 -0.161 5.810 14.125 1.00 0.00 C ATOM 1546 C GLY A 101 -1.459 6.586 13.905 1.00 0.00 C ATOM 1547 O GLY A 101 -1.808 7.441 14.718 1.00 0.00 O ATOM 0 H GLY A 101 0.331 4.555 12.532 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.385 4.886 14.659 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.500 6.396 14.764 1.00 0.00 H new ATOM 1551 N GLU A 102 -2.152 6.312 12.804 1.00 0.00 N ATOM 1552 CA GLU A 102 -3.330 7.047 12.335 1.00 0.00 C ATOM 1553 C GLU A 102 -4.655 6.515 12.899 1.00 0.00 C ATOM 1554 O GLU A 102 -5.716 7.008 12.526 1.00 0.00 O ATOM 1555 CB GLU A 102 -3.356 7.020 10.807 1.00 0.00 C ATOM 1556 CG GLU A 102 -2.037 7.408 10.143 1.00 0.00 C ATOM 1557 CD GLU A 102 -1.609 8.872 10.280 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -1.562 9.407 11.416 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -1.197 9.466 9.256 1.00 0.00 O ATOM 0 H GLU A 102 -1.901 5.540 12.186 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.240 8.069 12.704 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.632 6.018 10.479 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.136 7.696 10.458 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.248 6.781 10.559 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.106 7.170 9.081 1.00 0.00 H new ATOM 1566 N THR A 103 -4.588 5.485 13.743 1.00 0.00 N ATOM 1567 CA THR A 103 -5.663 4.888 14.538 1.00 0.00 C ATOM 1568 C THR A 103 -6.600 4.001 13.693 1.00 0.00 C ATOM 1569 O THR A 103 -7.465 4.505 12.974 1.00 0.00 O ATOM 1570 CB THR A 103 -6.370 5.980 15.356 1.00 0.00 C ATOM 1571 OG1 THR A 103 -5.520 6.365 16.426 1.00 0.00 O ATOM 1572 CG2 THR A 103 -7.745 5.581 15.903 1.00 0.00 C ATOM 0 H THR A 103 -3.702 5.005 13.902 1.00 0.00 H new ATOM 0 HA THR A 103 -5.234 4.189 15.256 1.00 0.00 H new ATOM 0 HB THR A 103 -6.561 6.807 14.672 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.958 7.063 16.956 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.168 6.413 16.466 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.407 5.330 15.074 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.639 4.716 16.558 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.446 2.665 13.735 1.00 0.00 N ATOM 1581 CA PRO A 104 -7.304 1.787 12.961 1.00 0.00 C ATOM 1582 C PRO A 104 -8.734 1.719 13.478 1.00 0.00 C ATOM 1583 O PRO A 104 -8.989 1.777 14.682 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.654 0.407 12.999 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.739 0.441 14.221 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.399 1.915 14.408 1.00 0.00 C ATOM 0 HA PRO A 104 -7.392 2.176 11.946 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.402 -0.381 13.087 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.090 0.210 12.087 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.238 0.035 15.101 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.841 -0.155 14.060 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.355 2.173 15.466 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.422 2.145 13.983 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.645 1.443 12.548 1.00 0.00 N ATOM 1595 CA ILE A 105 -11.029 1.069 12.817 1.00 0.00 C ATOM 1596 C ILE A 105 -11.203 -0.457 12.824 1.00 0.00 C ATOM 1597 O ILE A 105 -12.170 -0.958 13.395 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.980 1.732 11.796 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.634 1.413 10.319 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -12.084 3.240 12.089 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.687 2.405 9.637 1.00 0.00 C ATOM 0 H ILE A 105 -9.431 1.475 11.551 1.00 0.00 H new ATOM 0 HA ILE A 105 -11.289 1.433 13.811 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.968 1.291 11.926 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.186 0.420 10.275 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.561 1.370 9.747 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.755 3.705 11.367 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -12.474 3.389 13.096 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.096 3.695 12.011 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.510 2.091 8.608 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -11.136 3.398 9.641 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.740 2.433 10.176 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.287 -1.207 12.200 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.327 -2.660 12.107 1.00 0.00 C ATOM 1615 C ALA A 106 -8.930 -3.185 11.790 1.00 0.00 C ATOM 1616 O ALA A 106 -7.994 -2.402 11.630 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.321 -3.070 11.009 1.00 0.00 C ATOM 0 H ALA A 106 -9.476 -0.801 11.734 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.654 -3.087 13.055 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.354 -4.157 10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.313 -2.692 11.257 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.002 -2.652 10.054 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.788 -4.504 11.654 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.586 -5.152 11.135 1.00 0.00 C ATOM 1625 C TYR A 107 -8.010 -6.152 10.056 1.00 0.00 C ATOM 1626 O TYR A 107 -9.096 -6.738 10.123 1.00 0.00 O ATOM 1627 CB TYR A 107 -6.795 -5.820 12.273 1.00 0.00 C ATOM 1628 CG TYR A 107 -5.843 -4.893 13.015 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.334 -3.903 13.890 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.453 -5.011 12.819 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.443 -3.049 14.569 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.559 -4.176 13.511 1.00 0.00 C ATOM 1633 CZ TYR A 107 -4.049 -3.211 14.418 1.00 0.00 C ATOM 1634 OH TYR A 107 -3.183 -2.405 15.095 1.00 0.00 O ATOM 0 H TYR A 107 -9.522 -5.165 11.908 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.917 -4.416 10.689 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.501 -6.242 12.988 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.223 -6.651 11.861 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.398 -3.799 14.041 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.071 -5.750 12.130 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.828 -2.268 15.207 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.496 -4.273 13.349 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.262 -2.656 14.874 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.145 -6.367 9.068 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.338 -7.233 7.913 1.00 0.00 C ATOM 1646 C ARG A 108 -6.144 -8.157 7.834 1.00 0.00 C ATOM 1647 O ARG A 108 -5.035 -7.728 7.518 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.504 -6.414 6.642 1.00 0.00 C ATOM 1649 CG ARG A 108 -8.979 -6.068 6.404 1.00 0.00 C ATOM 1650 CD ARG A 108 -9.745 -7.184 5.675 1.00 0.00 C ATOM 1651 NE ARG A 108 -11.030 -6.685 5.161 1.00 0.00 N ATOM 1652 CZ ARG A 108 -11.230 -5.955 4.059 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -10.229 -5.745 3.213 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -12.422 -5.438 3.801 1.00 0.00 N ATOM 0 H ARG A 108 -6.233 -5.911 9.054 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.251 -7.819 8.019 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.918 -5.498 6.716 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.115 -6.973 5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.460 -5.870 7.362 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -9.042 -5.150 5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.143 -7.567 4.851 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.919 -8.017 6.356 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.859 -6.922 5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.308 -6.140 3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.380 -5.188 2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -13.197 -5.596 4.446 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.565 -4.882 2.958 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.378 -9.416 8.155 1.00 0.00 N ATOM 1669 CA ASN A 109 -5.473 -10.511 7.861 1.00 0.00 C ATOM 1670 C ASN A 109 -5.682 -10.885 6.404 1.00 0.00 C ATOM 1671 O ASN A 109 -6.819 -11.002 5.943 1.00 0.00 O ATOM 1672 CB ASN A 109 -5.711 -11.728 8.766 1.00 0.00 C ATOM 1673 CG ASN A 109 -7.167 -11.956 9.125 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -7.941 -12.546 8.377 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -7.571 -11.391 10.249 1.00 0.00 N ATOM 0 H ASN A 109 -7.225 -9.713 8.640 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.447 -10.193 8.048 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.327 -12.618 8.268 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.137 -11.603 9.684 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.554 -11.437 10.519 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.900 -10.909 10.847 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.584 -11.079 5.689 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.542 -11.558 4.316 1.00 0.00 C ATOM 1684 C VAL A 110 -3.300 -12.441 4.206 1.00 0.00 C ATOM 1685 O VAL A 110 -2.345 -12.250 4.957 1.00 0.00 O ATOM 1686 CB VAL A 110 -4.500 -10.381 3.314 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -5.827 -9.612 3.253 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -3.371 -9.372 3.593 1.00 0.00 C ATOM 0 H VAL A 110 -3.655 -10.898 6.068 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.439 -12.125 4.068 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.307 -10.861 2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.742 -8.797 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.625 -10.287 2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -6.057 -9.205 4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.404 -8.575 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.501 -8.947 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.408 -9.879 3.538 1.00 0.00 H new ATOM 1698 N LEU A 111 -3.261 -13.398 3.279 1.00 0.00 N ATOM 1699 CA LEU A 111 -1.997 -14.066 2.973 1.00 0.00 C ATOM 1700 C LEU A 111 -1.243 -13.186 1.983 1.00 0.00 C ATOM 1701 O LEU A 111 -1.846 -12.392 1.258 1.00 0.00 O ATOM 1702 CB LEU A 111 -2.246 -15.443 2.350 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.620 -16.652 3.215 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.482 -17.147 4.091 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -3.871 -16.406 4.060 1.00 0.00 C ATOM 0 H LEU A 111 -4.065 -13.721 2.741 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.422 -14.212 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.041 -15.320 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.343 -15.712 1.801 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.842 -17.443 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.818 -18.004 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.642 -17.443 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.168 -16.350 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.090 -17.294 4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.700 -15.559 4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.715 -16.189 3.406 1.00 0.00 H new ATOM 1717 N LEU A 112 0.061 -13.393 1.895 1.00 0.00 N ATOM 1718 CA LEU A 112 0.930 -13.003 0.804 1.00 0.00 C ATOM 1719 C LEU A 112 1.265 -14.285 0.071 1.00 0.00 C ATOM 1720 O LEU A 112 1.792 -15.218 0.672 1.00 0.00 O ATOM 1721 CB LEU A 112 2.213 -12.349 1.338 1.00 0.00 C ATOM 1722 CG LEU A 112 3.245 -12.003 0.239 1.00 0.00 C ATOM 1723 CD1 LEU A 112 2.630 -11.456 -1.067 1.00 0.00 C ATOM 1724 CD2 LEU A 112 4.241 -10.981 0.801 1.00 0.00 C ATOM 0 H LEU A 112 0.572 -13.871 2.637 1.00 0.00 H new ATOM 0 HA LEU A 112 0.448 -12.274 0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.948 -11.437 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.678 -13.020 2.060 1.00 0.00 H new ATOM 0 HG LEU A 112 3.734 -12.939 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.425 -11.240 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.954 -12.199 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.076 -10.542 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.974 -10.729 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.707 -10.080 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.751 -11.407 1.665 1.00 0.00 H new ATOM 1736 N ARG A 113 0.925 -14.381 -1.205 1.00 0.00 N ATOM 1737 CA ARG A 113 1.420 -15.468 -2.032 1.00 0.00 C ATOM 1738 C ARG A 113 2.940 -15.411 -2.242 1.00 0.00 C ATOM 1739 O ARG A 113 3.557 -14.345 -2.146 1.00 0.00 O ATOM 1740 CB ARG A 113 0.602 -15.492 -3.320 1.00 0.00 C ATOM 1741 CG ARG A 113 0.937 -14.370 -4.297 1.00 0.00 C ATOM 1742 CD ARG A 113 1.950 -14.889 -5.310 1.00 0.00 C ATOM 1743 NE ARG A 113 2.493 -13.896 -6.242 1.00 0.00 N ATOM 1744 CZ ARG A 113 3.565 -14.131 -7.009 1.00 0.00 C ATOM 1745 NH1 ARG A 113 4.143 -15.331 -7.030 1.00 0.00 N ATOM 1746 NH2 ARG A 113 4.068 -13.140 -7.726 1.00 0.00 N ATOM 0 H ARG A 113 0.312 -13.723 -1.687 1.00 0.00 H new ATOM 0 HA ARG A 113 1.280 -16.421 -1.522 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.757 -16.449 -3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.456 -15.433 -3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.035 -14.030 -4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.344 -13.512 -3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 113 2.780 -15.340 -4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.480 -15.684 -5.890 1.00 0.00 H new ATOM 0 HE ARG A 113 2.035 -12.987 -6.309 1.00 0.00 H new ATOM 0 HH11 ARG A 113 3.769 -16.087 -6.456 1.00 0.00 H new ATOM 0 HH12 ARG A 113 4.959 -15.494 -7.620 1.00 0.00 H new ATOM 0 HH21 ARG A 113 3.640 -12.215 -7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 113 4.884 -13.301 -8.316 1.00 0.00 H new ATOM 1760 N LYS A 114 3.536 -16.540 -2.611 1.00 0.00 N ATOM 1761 CA LYS A 114 4.936 -16.700 -2.999 1.00 0.00 C ATOM 1762 C LYS A 114 5.001 -17.329 -4.396 1.00 0.00 C ATOM 1763 O LYS A 114 3.965 -17.463 -5.048 1.00 0.00 O ATOM 1764 CB LYS A 114 5.658 -17.522 -1.917 1.00 0.00 C ATOM 1765 CG LYS A 114 6.173 -16.596 -0.804 1.00 0.00 C ATOM 1766 CD LYS A 114 7.090 -17.375 0.141 1.00 0.00 C ATOM 1767 CE LYS A 114 7.729 -16.452 1.182 1.00 0.00 C ATOM 1768 NZ LYS A 114 8.859 -17.110 1.861 1.00 0.00 N ATOM 0 H LYS A 114 3.025 -17.422 -2.650 1.00 0.00 H new ATOM 0 HA LYS A 114 5.449 -15.740 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.977 -18.263 -1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.491 -18.069 -2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.715 -15.756 -1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.333 -16.180 -0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.519 -18.155 0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 114 7.870 -17.873 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.075 -15.539 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.981 -16.158 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.271 -16.459 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.523 -17.968 2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.583 -17.368 1.160 1.00 0.00 H new ATOM 1782 N ASN A 115 6.206 -17.608 -4.901 1.00 0.00 N ATOM 1783 CA ASN A 115 6.398 -18.290 -6.180 1.00 0.00 C ATOM 1784 C ASN A 115 6.412 -19.793 -5.908 1.00 0.00 C ATOM 1785 O ASN A 115 5.359 -20.430 -5.920 1.00 0.00 O ATOM 1786 CB ASN A 115 7.654 -17.779 -6.909 1.00 0.00 C ATOM 1787 CG ASN A 115 7.480 -16.348 -7.415 1.00 0.00 C ATOM 1788 OD1 ASN A 115 6.572 -16.048 -8.189 1.00 0.00 O ATOM 1789 ND2 ASN A 115 8.279 -15.408 -6.947 1.00 0.00 N ATOM 0 H ASN A 115 7.078 -17.365 -4.431 1.00 0.00 H new ATOM 0 HA ASN A 115 5.578 -18.071 -6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 115 8.508 -17.823 -6.234 1.00 0.00 H new ATOM 0 HB3 ASN A 115 7.878 -18.436 -7.749 1.00 0.00 H new ATOM 0 HD21 ASN A 115 8.143 -14.437 -7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 115 9.033 -15.653 -6.305 1.00 0.00 H new ATOM 1796 N GLY A 116 7.563 -20.395 -5.611 1.00 0.00 N ATOM 1797 CA GLY A 116 7.690 -21.805 -5.257 1.00 0.00 C ATOM 1798 C GLY A 116 9.109 -22.268 -5.476 1.00 0.00 C ATOM 1799 O GLY A 116 9.439 -23.375 -5.008 1.00 0.00 O ATOM 0 H GLY A 116 8.455 -19.901 -5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.407 -21.953 -4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.007 -22.403 -5.861 1.00 0.00 H new TER 1803 GLY A 116