USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 929 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 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 56 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Set 2.1: A 17 LYS NZ :NH3+ -172:sc= 0 (180deg=0) USER MOD Set 2.2: A 18 HIS : no HD1:sc= -1.75! C(o=-1.8!,f=-4.1!) USER MOD Set 3.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 102 HIS : no HD1:sc= -0.529 X(o=-0.53,f=-0.068) USER MOD Set 4.1: A 10 HIS : no HE2:sc= 0.24 K(o=0.61,f=-6.7!) USER MOD Set 4.2: A 113 SER OG : rot -119:sc= 0.375 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.463 USER MOD Single : A 29 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.56) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -160:sc= -7.14! (180deg=-11.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.483 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= -1.64! (180deg=-1.8!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -160:sc= -0.348 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -142:sc= 0.0125 USER MOD Single : A 70 GLN : amide:sc= 0.00642 X(o=0.0064,f=-0.028) USER MOD Single : A 71 ASN : amide:sc= -0.0624 X(o=-0.062,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -97:sc= 0.524 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 146:sc= -0.57 (180deg=-2.33!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS :FLIP no HD1:sc= -0.404 F(o=-1.3!,f=-0.4) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -4.23! C(o=-4.2!,f=-5.5!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 179:sc= 0 (180deg=-0.00222) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.421 K(o=-0.42,f=-1.9) USER MOD Single : A 118 SER OG : rot -140:sc= -3.17! USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.884 9.370 -20.656 1.00 0.00 N ATOM 2 CA GLY A 1 -30.965 9.214 -19.206 1.00 0.00 C ATOM 3 C GLY A 1 -30.074 10.211 -18.505 1.00 0.00 C ATOM 4 O GLY A 1 -30.334 11.419 -18.481 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.505 8.674 -21.115 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.186 10.330 -20.919 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.903 9.218 -20.967 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.996 9.349 -18.879 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.673 8.201 -18.929 1.00 0.00 H new ATOM 10 N SER A 2 -28.990 9.719 -17.932 1.00 0.00 N ATOM 11 CA SER A 2 -28.102 10.545 -17.121 1.00 0.00 C ATOM 12 C SER A 2 -26.667 10.095 -17.261 1.00 0.00 C ATOM 13 O SER A 2 -25.907 10.588 -18.104 1.00 0.00 O ATOM 14 CB SER A 2 -28.556 10.551 -15.640 1.00 0.00 C ATOM 15 OG SER A 2 -29.464 11.618 -15.341 1.00 0.00 O ATOM 0 H SER A 2 -28.699 8.745 -18.012 1.00 0.00 H new ATOM 0 HA SER A 2 -28.160 11.570 -17.487 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.033 9.599 -15.407 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.680 10.635 -14.997 1.00 0.00 H new ATOM 0 HG SER A 2 -29.720 11.575 -14.396 1.00 0.00 H new ATOM 21 N GLY A 3 -26.265 9.157 -16.424 1.00 0.00 N ATOM 22 CA GLY A 3 -24.878 8.701 -16.386 1.00 0.00 C ATOM 23 C GLY A 3 -24.082 9.474 -15.362 1.00 0.00 C ATOM 24 O GLY A 3 -23.389 10.450 -15.673 1.00 0.00 O ATOM 0 H GLY A 3 -26.879 8.691 -15.756 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -24.847 7.638 -16.148 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -24.425 8.821 -17.370 1.00 0.00 H new ATOM 28 N THR A 4 -24.151 9.034 -14.120 1.00 0.00 N ATOM 29 CA THR A 4 -23.549 9.761 -13.004 1.00 0.00 C ATOM 30 C THR A 4 -22.486 8.928 -12.329 1.00 0.00 C ATOM 31 O THR A 4 -22.769 8.076 -11.476 1.00 0.00 O ATOM 32 CB THR A 4 -24.647 10.196 -11.976 1.00 0.00 C ATOM 33 OG1 THR A 4 -25.879 10.450 -12.641 1.00 0.00 O ATOM 34 CG2 THR A 4 -24.365 11.488 -11.179 1.00 0.00 C ATOM 0 H THR A 4 -24.621 8.170 -13.851 1.00 0.00 H new ATOM 0 HA THR A 4 -23.073 10.658 -13.400 1.00 0.00 H new ATOM 0 HB THR A 4 -24.668 9.355 -11.283 1.00 0.00 H new ATOM 0 HG1 THR A 4 -26.555 10.719 -11.985 1.00 0.00 H new ATOM 0 HG21 THR A 4 -25.195 11.686 -10.501 1.00 0.00 H new ATOM 0 HG22 THR A 4 -23.447 11.367 -10.603 1.00 0.00 H new ATOM 0 HG23 THR A 4 -24.253 12.324 -11.869 1.00 0.00 H new ATOM 42 N GLY A 5 -21.239 9.162 -12.690 1.00 0.00 N ATOM 43 CA GLY A 5 -20.114 8.448 -12.092 1.00 0.00 C ATOM 44 C GLY A 5 -18.809 8.831 -12.751 1.00 0.00 C ATOM 45 O GLY A 5 -18.659 8.788 -13.977 1.00 0.00 O ATOM 0 H GLY A 5 -20.973 9.845 -13.399 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -20.065 8.670 -11.026 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -20.270 7.373 -12.187 1.00 0.00 H new ATOM 49 N ALA A 6 -17.834 9.192 -11.938 1.00 0.00 N ATOM 50 CA ALA A 6 -16.539 9.654 -12.430 1.00 0.00 C ATOM 51 C ALA A 6 -15.582 8.498 -12.611 1.00 0.00 C ATOM 52 O ALA A 6 -15.969 7.325 -12.619 1.00 0.00 O ATOM 53 CB ALA A 6 -16.016 10.711 -11.443 1.00 0.00 C ATOM 0 H ALA A 6 -17.911 9.175 -10.921 1.00 0.00 H new ATOM 0 HA ALA A 6 -16.638 10.106 -13.417 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.047 11.078 -11.782 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -16.721 11.541 -11.392 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.909 10.264 -10.454 1.00 0.00 H new ATOM 59 N GLY A 7 -14.310 8.816 -12.769 1.00 0.00 N ATOM 60 CA GLY A 7 -13.255 7.807 -12.814 1.00 0.00 C ATOM 61 C GLY A 7 -12.425 7.942 -14.069 1.00 0.00 C ATOM 62 O GLY A 7 -12.838 7.548 -15.168 1.00 0.00 O ATOM 0 H GLY A 7 -13.975 9.774 -12.870 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.614 7.908 -11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.698 6.812 -12.773 1.00 0.00 H new ATOM 66 N GLU A 8 -11.227 8.479 -13.930 1.00 0.00 N ATOM 67 CA GLU A 8 -10.363 8.746 -15.076 1.00 0.00 C ATOM 68 C GLU A 8 -8.901 8.649 -14.681 1.00 0.00 C ATOM 69 O GLU A 8 -8.185 9.653 -14.611 1.00 0.00 O ATOM 70 CB GLU A 8 -10.725 10.145 -15.646 1.00 0.00 C ATOM 71 CG GLU A 8 -12.083 10.268 -16.415 1.00 0.00 C ATOM 72 CD GLU A 8 -12.637 11.660 -16.731 1.00 0.00 C ATOM 73 OE1 GLU A 8 -12.404 12.581 -15.755 1.00 0.00 O ATOM 74 OE2 GLU A 8 -13.235 11.917 -17.768 1.00 0.00 O ATOM 0 H GLU A 8 -10.824 8.742 -13.031 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.522 7.998 -15.853 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.738 10.855 -14.819 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.925 10.454 -16.319 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.975 9.735 -17.360 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.838 9.738 -15.835 1.00 0.00 H new ATOM 81 N GLY A 9 -8.454 7.431 -14.391 1.00 0.00 N ATOM 82 CA GLY A 9 -7.044 7.213 -14.088 1.00 0.00 C ATOM 83 C GLY A 9 -6.121 7.468 -15.270 1.00 0.00 C ATOM 84 O GLY A 9 -6.208 8.480 -15.972 1.00 0.00 O ATOM 0 H GLY A 9 -9.036 6.594 -14.359 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.753 7.864 -13.264 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.909 6.187 -13.747 1.00 0.00 H new ATOM 88 N HIS A 10 -5.220 6.514 -15.522 1.00 0.00 N ATOM 89 CA HIS A 10 -4.364 6.543 -16.702 1.00 0.00 C ATOM 90 C HIS A 10 -4.177 5.146 -17.250 1.00 0.00 C ATOM 91 O HIS A 10 -4.398 4.145 -16.552 1.00 0.00 O ATOM 92 CB HIS A 10 -3.016 7.130 -16.253 1.00 0.00 C ATOM 93 CG HIS A 10 -2.641 8.403 -16.953 1.00 0.00 C ATOM 94 ND1 HIS A 10 -1.338 8.876 -17.121 1.00 0.00 N ATOM 95 CD2 HIS A 10 -3.570 9.264 -17.518 1.00 0.00 C ATOM 96 CE1 HIS A 10 -1.594 10.018 -17.787 1.00 0.00 C ATOM 97 NE2 HIS A 10 -2.890 10.324 -18.063 1.00 0.00 N ATOM 0 H HIS A 10 -5.067 5.708 -14.916 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.807 7.146 -17.495 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.051 7.315 -15.179 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.234 6.390 -16.423 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -0.449 8.473 -16.825 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.641 9.125 -17.527 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.792 10.673 -18.094 1.00 0.00 H new ATOM 105 N GLU A 11 -3.746 5.045 -18.493 1.00 0.00 N ATOM 106 CA GLU A 11 -3.663 3.751 -19.165 1.00 0.00 C ATOM 107 C GLU A 11 -2.722 3.809 -20.347 1.00 0.00 C ATOM 108 O GLU A 11 -3.035 4.338 -21.418 1.00 0.00 O ATOM 109 CB GLU A 11 -5.098 3.331 -19.592 1.00 0.00 C ATOM 110 CG GLU A 11 -6.014 4.439 -20.210 1.00 0.00 C ATOM 111 CD GLU A 11 -7.021 4.039 -21.290 1.00 0.00 C ATOM 112 OE1 GLU A 11 -8.010 3.356 -21.059 1.00 0.00 O ATOM 113 OE2 GLU A 11 -6.715 4.517 -22.528 1.00 0.00 O ATOM 0 H GLU A 11 -3.447 5.838 -19.061 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.255 3.004 -18.484 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.011 2.522 -20.317 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.605 2.923 -18.717 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.570 4.902 -19.394 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.366 5.208 -20.630 1.00 0.00 H new ATOM 120 N GLY A 12 -1.539 3.246 -20.155 1.00 0.00 N ATOM 121 CA GLY A 12 -0.463 3.330 -21.137 1.00 0.00 C ATOM 122 C GLY A 12 0.519 2.197 -20.956 1.00 0.00 C ATOM 123 O GLY A 12 0.503 1.488 -19.936 1.00 0.00 O ATOM 0 H GLY A 12 -1.296 2.718 -19.317 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.880 3.298 -22.144 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.054 4.284 -21.036 1.00 0.00 H new ATOM 127 N TYR A 13 1.379 1.981 -21.933 1.00 0.00 N ATOM 128 CA TYR A 13 2.459 1.006 -21.799 1.00 0.00 C ATOM 129 C TYR A 13 3.661 1.631 -21.129 1.00 0.00 C ATOM 130 O TYR A 13 4.467 2.362 -21.713 1.00 0.00 O ATOM 131 CB TYR A 13 2.888 0.452 -23.191 1.00 0.00 C ATOM 132 CG TYR A 13 3.701 1.351 -24.127 1.00 0.00 C ATOM 133 CD1 TYR A 13 3.054 2.301 -24.922 1.00 0.00 C ATOM 134 CD2 TYR A 13 5.093 1.226 -24.202 1.00 0.00 C ATOM 135 CE1 TYR A 13 3.783 3.095 -25.803 1.00 0.00 C ATOM 136 CE2 TYR A 13 5.819 2.007 -25.098 1.00 0.00 C ATOM 137 CZ TYR A 13 5.169 2.973 -25.862 1.00 0.00 C ATOM 138 OH TYR A 13 5.896 3.802 -26.670 1.00 0.00 O ATOM 0 H TYR A 13 1.356 2.465 -22.831 1.00 0.00 H new ATOM 0 HA TYR A 13 2.084 0.186 -21.187 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.467 -0.455 -23.020 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.983 0.157 -23.722 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.983 2.420 -24.853 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.606 0.522 -23.563 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.275 3.804 -26.439 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.885 1.864 -25.200 1.00 0.00 H new ATOM 0 HH TYR A 13 6.848 3.583 -26.591 1.00 0.00 H new ATOM 148 N VAL A 14 3.790 1.363 -19.836 1.00 0.00 N ATOM 149 CA VAL A 14 4.922 1.851 -19.054 1.00 0.00 C ATOM 150 C VAL A 14 5.557 0.732 -18.266 1.00 0.00 C ATOM 151 O VAL A 14 5.209 -0.445 -18.404 1.00 0.00 O ATOM 152 CB VAL A 14 4.457 3.010 -18.086 1.00 0.00 C ATOM 153 CG1 VAL A 14 3.735 4.215 -18.750 1.00 0.00 C ATOM 154 CG2 VAL A 14 3.510 2.543 -16.954 1.00 0.00 C ATOM 0 H VAL A 14 3.121 0.807 -19.303 1.00 0.00 H new ATOM 0 HA VAL A 14 5.669 2.245 -19.744 1.00 0.00 H new ATOM 0 HB VAL A 14 5.426 3.332 -17.704 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.465 4.944 -17.986 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.399 4.682 -19.477 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.833 3.866 -19.254 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.236 3.396 -16.333 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.611 2.107 -17.389 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.015 1.796 -16.342 1.00 0.00 H new ATOM 164 N THR A 15 6.489 1.096 -17.399 1.00 0.00 N ATOM 165 CA THR A 15 7.110 0.125 -16.499 1.00 0.00 C ATOM 166 C THR A 15 6.559 0.248 -15.096 1.00 0.00 C ATOM 167 O THR A 15 7.094 0.958 -14.239 1.00 0.00 O ATOM 168 CB THR A 15 8.666 0.296 -16.498 1.00 0.00 C ATOM 169 OG1 THR A 15 9.096 0.947 -17.686 1.00 0.00 O ATOM 170 CG2 THR A 15 9.498 -1.005 -16.448 1.00 0.00 C ATOM 0 H THR A 15 6.834 2.051 -17.296 1.00 0.00 H new ATOM 0 HA THR A 15 6.870 -0.874 -16.865 1.00 0.00 H new ATOM 0 HB THR A 15 8.840 0.859 -15.581 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.071 1.048 -17.669 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.560 -0.758 -16.452 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.257 -1.556 -15.539 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.265 -1.619 -17.318 1.00 0.00 H new ATOM 178 N ARG A 16 5.480 -0.468 -14.839 1.00 0.00 N ATOM 179 CA ARG A 16 4.898 -0.560 -13.503 1.00 0.00 C ATOM 180 C ARG A 16 5.220 -1.892 -12.865 1.00 0.00 C ATOM 181 O ARG A 16 5.337 -2.923 -13.543 1.00 0.00 O ATOM 182 CB ARG A 16 3.361 -0.348 -13.596 1.00 0.00 C ATOM 183 CG ARG A 16 2.583 -0.652 -12.286 1.00 0.00 C ATOM 184 CD ARG A 16 1.068 -0.738 -12.512 1.00 0.00 C ATOM 185 NE ARG A 16 0.582 0.602 -12.928 1.00 0.00 N ATOM 186 CZ ARG A 16 -0.624 1.093 -12.679 1.00 0.00 C ATOM 187 NH1 ARG A 16 -1.552 0.464 -12.020 1.00 0.00 N ATOM 188 NH2 ARG A 16 -0.888 2.272 -13.122 1.00 0.00 N ATOM 0 H ARG A 16 4.979 -1.004 -15.547 1.00 0.00 H new ATOM 0 HA ARG A 16 5.328 0.218 -12.872 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.167 0.685 -13.886 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.968 -0.982 -14.391 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.939 -1.592 -11.865 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.795 0.126 -11.552 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.840 -1.479 -13.278 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.565 -1.058 -11.599 1.00 0.00 H new ATOM 0 HE ARG A 16 1.230 1.194 -13.448 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.374 -0.472 -11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.458 0.907 -11.867 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.181 2.791 -13.643 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.804 2.687 -12.952 1.00 0.00 H new ATOM 202 N LYS A 17 5.349 -1.912 -11.553 1.00 0.00 N ATOM 203 CA LYS A 17 5.499 -3.142 -10.778 1.00 0.00 C ATOM 204 C LYS A 17 4.446 -3.205 -9.694 1.00 0.00 C ATOM 205 O LYS A 17 4.591 -2.624 -8.613 1.00 0.00 O ATOM 206 CB LYS A 17 6.928 -3.222 -10.173 1.00 0.00 C ATOM 207 CG LYS A 17 7.086 -4.339 -9.111 1.00 0.00 C ATOM 208 CD LYS A 17 7.255 -5.753 -9.676 1.00 0.00 C ATOM 209 CE LYS A 17 5.920 -6.225 -10.266 1.00 0.00 C ATOM 210 NZ LYS A 17 5.842 -7.695 -10.186 1.00 0.00 N ATOM 0 H LYS A 17 5.353 -1.067 -10.982 1.00 0.00 H new ATOM 0 HA LYS A 17 5.361 -3.999 -11.437 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.645 -3.391 -10.976 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.177 -2.262 -9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.950 -4.107 -8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.212 -4.327 -8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.028 -5.760 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.580 -6.435 -8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.090 -5.776 -9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.833 -5.901 -11.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.004 -8.027 -10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.697 -8.111 -10.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.770 -7.985 -9.190 1.00 0.00 H new ATOM 224 N HIS A 18 3.357 -3.893 -9.987 1.00 0.00 N ATOM 225 CA HIS A 18 2.188 -3.929 -9.114 1.00 0.00 C ATOM 226 C HIS A 18 2.505 -4.600 -7.795 1.00 0.00 C ATOM 227 O HIS A 18 3.661 -4.816 -7.424 1.00 0.00 O ATOM 228 CB HIS A 18 1.110 -4.727 -9.868 1.00 0.00 C ATOM 229 CG HIS A 18 1.549 -6.130 -10.172 1.00 0.00 C ATOM 230 ND1 HIS A 18 2.260 -6.965 -9.313 1.00 0.00 N ATOM 231 CD2 HIS A 18 1.281 -6.753 -11.381 1.00 0.00 C ATOM 232 CE1 HIS A 18 2.368 -8.057 -10.093 1.00 0.00 C ATOM 233 NE2 HIS A 18 1.813 -8.017 -11.335 1.00 0.00 N ATOM 0 H HIS A 18 3.254 -4.445 -10.838 1.00 0.00 H new ATOM 0 HA HIS A 18 1.854 -2.918 -8.880 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.198 -4.755 -9.272 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.866 -4.215 -10.799 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.747 -6.319 -12.214 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.881 -8.940 -9.743 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.797 -8.743 -12.051 1.00 0.00 H new ATOM 241 N GLU A 19 1.454 -4.912 -7.056 1.00 0.00 N ATOM 242 CA GLU A 19 1.512 -5.687 -5.819 1.00 0.00 C ATOM 243 C GLU A 19 2.695 -6.633 -5.770 1.00 0.00 C ATOM 244 O GLU A 19 2.742 -7.670 -6.439 1.00 0.00 O ATOM 245 CB GLU A 19 0.177 -6.480 -5.689 1.00 0.00 C ATOM 246 CG GLU A 19 0.193 -7.763 -4.796 1.00 0.00 C ATOM 247 CD GLU A 19 -0.217 -9.095 -5.428 1.00 0.00 C ATOM 248 OE1 GLU A 19 0.576 -9.839 -5.990 1.00 0.00 O ATOM 249 OE2 GLU A 19 -1.545 -9.373 -5.308 1.00 0.00 O ATOM 0 H GLU A 19 0.507 -4.627 -7.304 1.00 0.00 H new ATOM 0 HA GLU A 19 1.644 -4.999 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.581 -5.803 -5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.143 -6.769 -6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.202 -7.880 -4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.464 -7.583 -3.945 1.00 0.00 H new ATOM 256 N TRP A 20 3.669 -6.282 -4.949 1.00 0.00 N ATOM 257 CA TRP A 20 4.901 -7.051 -4.801 1.00 0.00 C ATOM 258 C TRP A 20 4.733 -8.154 -3.782 1.00 0.00 C ATOM 259 O TRP A 20 5.347 -9.221 -3.868 1.00 0.00 O ATOM 260 CB TRP A 20 6.042 -6.096 -4.354 1.00 0.00 C ATOM 261 CG TRP A 20 7.194 -5.934 -5.351 1.00 0.00 C ATOM 262 CD1 TRP A 20 7.827 -6.977 -6.059 1.00 0.00 C ATOM 263 CD2 TRP A 20 7.791 -4.768 -5.783 1.00 0.00 C ATOM 264 NE1 TRP A 20 8.812 -6.484 -6.936 1.00 0.00 N ATOM 265 CE2 TRP A 20 8.771 -5.112 -6.746 1.00 0.00 C ATOM 266 CE3 TRP A 20 7.586 -3.413 -5.411 1.00 0.00 C ATOM 267 CZ2 TRP A 20 9.540 -4.100 -7.361 1.00 0.00 C ATOM 268 CZ3 TRP A 20 8.418 -2.442 -5.968 1.00 0.00 C ATOM 269 CH2 TRP A 20 9.387 -2.781 -6.923 1.00 0.00 C ATOM 0 H TRP A 20 3.631 -5.450 -4.360 1.00 0.00 H new ATOM 0 HA TRP A 20 5.147 -7.509 -5.759 1.00 0.00 H new ATOM 0 HB2 TRP A 20 5.614 -5.113 -4.157 1.00 0.00 H new ATOM 0 HB3 TRP A 20 6.449 -6.461 -3.411 1.00 0.00 H new ATOM 0 HD1 TRP A 20 7.586 -8.023 -5.943 1.00 0.00 H new ATOM 0 HE1 TRP A 20 9.415 -7.014 -7.565 1.00 0.00 H new ATOM 0 HE3 TRP A 20 6.806 -3.141 -4.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 10.233 -4.340 -8.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 8.314 -1.412 -5.659 1.00 0.00 H new ATOM 0 HH2 TRP A 20 10.026 -2.010 -7.327 1.00 0.00 H new ATOM 280 N ASP A 21 3.915 -7.893 -2.780 1.00 0.00 N ATOM 281 CA ASP A 21 3.516 -8.878 -1.776 1.00 0.00 C ATOM 282 C ASP A 21 4.512 -8.961 -0.636 1.00 0.00 C ATOM 283 O ASP A 21 4.199 -9.549 0.419 1.00 0.00 O ATOM 284 CB ASP A 21 3.288 -10.264 -2.434 1.00 0.00 C ATOM 285 CG ASP A 21 4.282 -11.375 -2.061 1.00 0.00 C ATOM 286 OD1 ASP A 21 3.974 -11.987 -0.878 1.00 0.00 O ATOM 287 OD2 ASP A 21 5.232 -11.684 -2.766 1.00 0.00 O ATOM 0 H ASP A 21 3.498 -6.974 -2.633 1.00 0.00 H new ATOM 0 HA ASP A 21 2.572 -8.547 -1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.285 -10.603 -2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.311 -10.135 -3.516 1.00 0.00 H new ATOM 292 N SER A 22 5.702 -8.418 -0.784 1.00 0.00 N ATOM 293 CA SER A 22 6.700 -8.315 0.286 1.00 0.00 C ATOM 294 C SER A 22 7.530 -9.575 0.361 1.00 0.00 C ATOM 295 O SER A 22 8.661 -9.625 -0.163 1.00 0.00 O ATOM 296 CB SER A 22 6.046 -7.972 1.649 1.00 0.00 C ATOM 297 OG SER A 22 6.852 -7.097 2.445 1.00 0.00 O ATOM 0 H SER A 22 6.020 -8.023 -1.669 1.00 0.00 H new ATOM 0 HA SER A 22 7.369 -7.489 0.045 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.076 -7.507 1.475 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.863 -8.894 2.202 1.00 0.00 H new ATOM 0 HG SER A 22 6.395 -6.911 3.292 1.00 0.00 H new ATOM 303 N THR A 23 7.024 -10.619 0.989 1.00 0.00 N ATOM 304 CA THR A 23 7.805 -11.834 1.220 1.00 0.00 C ATOM 305 C THR A 23 7.856 -12.691 -0.022 1.00 0.00 C ATOM 306 O THR A 23 6.836 -12.980 -0.659 1.00 0.00 O ATOM 307 CB THR A 23 7.217 -12.640 2.426 1.00 0.00 C ATOM 308 OG1 THR A 23 7.043 -11.793 3.554 1.00 0.00 O ATOM 309 CG2 THR A 23 8.077 -13.812 2.950 1.00 0.00 C ATOM 0 H THR A 23 6.072 -10.657 1.352 1.00 0.00 H new ATOM 0 HA THR A 23 8.826 -11.540 1.465 1.00 0.00 H new ATOM 0 HB THR A 23 6.292 -13.042 2.012 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.673 -12.312 4.299 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.567 -14.293 3.784 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.229 -14.537 2.151 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.043 -13.433 3.285 1.00 0.00 H new ATOM 317 N THR A 24 9.055 -13.094 -0.401 1.00 0.00 N ATOM 318 CA THR A 24 9.262 -13.886 -1.609 1.00 0.00 C ATOM 319 C THR A 24 10.546 -14.677 -1.525 1.00 0.00 C ATOM 320 O THR A 24 11.410 -14.431 -0.675 1.00 0.00 O ATOM 321 CB THR A 24 9.262 -12.967 -2.877 1.00 0.00 C ATOM 322 OG1 THR A 24 10.589 -12.584 -3.215 1.00 0.00 O ATOM 323 CG2 THR A 24 8.494 -11.633 -2.756 1.00 0.00 C ATOM 0 H THR A 24 9.911 -12.885 0.113 1.00 0.00 H new ATOM 0 HA THR A 24 8.436 -14.592 -1.695 1.00 0.00 H new ATOM 0 HB THR A 24 8.764 -13.591 -3.619 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.572 -12.012 -4.010 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.566 -11.085 -3.696 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.446 -11.835 -2.533 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.927 -11.035 -1.954 1.00 0.00 H new ATOM 331 N LYS A 25 10.701 -15.636 -2.419 1.00 0.00 N ATOM 332 CA LYS A 25 11.885 -16.490 -2.439 1.00 0.00 C ATOM 333 C LYS A 25 13.015 -15.834 -3.198 1.00 0.00 C ATOM 334 O LYS A 25 12.820 -14.896 -3.978 1.00 0.00 O ATOM 335 CB LYS A 25 11.522 -17.865 -3.065 1.00 0.00 C ATOM 336 CG LYS A 25 10.578 -17.759 -4.289 1.00 0.00 C ATOM 337 CD LYS A 25 10.238 -19.094 -4.958 1.00 0.00 C ATOM 338 CE LYS A 25 9.570 -18.828 -6.313 1.00 0.00 C ATOM 339 NZ LYS A 25 8.584 -19.888 -6.588 1.00 0.00 N ATOM 0 H LYS A 25 10.019 -15.848 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 25 12.226 -16.644 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.439 -18.371 -3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.050 -18.488 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.651 -17.280 -3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.039 -17.105 -5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.143 -19.685 -5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.572 -19.675 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.081 -17.854 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.321 -18.801 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.130 -19.710 -7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.064 -20.810 -6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.862 -19.893 -5.840 1.00 0.00 H new ATOM 353 N LYS A 26 14.223 -16.321 -2.977 1.00 0.00 N ATOM 354 CA LYS A 26 15.398 -15.813 -3.681 1.00 0.00 C ATOM 355 C LYS A 26 15.664 -14.372 -3.310 1.00 0.00 C ATOM 356 O LYS A 26 15.242 -13.888 -2.250 1.00 0.00 O ATOM 357 CB LYS A 26 15.187 -15.974 -5.212 1.00 0.00 C ATOM 358 CG LYS A 26 14.322 -17.202 -5.587 1.00 0.00 C ATOM 359 CD LYS A 26 14.607 -17.799 -6.968 1.00 0.00 C ATOM 360 CE LYS A 26 14.578 -19.331 -6.875 1.00 0.00 C ATOM 361 NZ LYS A 26 14.574 -19.905 -8.232 1.00 0.00 N ATOM 0 H LYS A 26 14.421 -17.070 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 26 16.275 -16.389 -3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.715 -15.073 -5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.159 -16.061 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.473 -17.977 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.272 -16.915 -5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.864 -17.453 -7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.580 -17.464 -7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.445 -19.689 -6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.693 -19.656 -6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.554 -20.943 -8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.734 -19.573 -8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.431 -19.605 -8.738 1.00 0.00 H new ATOM 375 N ALA A 27 16.385 -13.663 -4.157 1.00 0.00 N ATOM 376 CA ALA A 27 16.682 -12.251 -3.925 1.00 0.00 C ATOM 377 C ALA A 27 16.002 -11.377 -4.952 1.00 0.00 C ATOM 378 O ALA A 27 16.640 -10.625 -5.697 1.00 0.00 O ATOM 379 CB ALA A 27 18.213 -12.091 -3.924 1.00 0.00 C ATOM 0 H ALA A 27 16.781 -14.039 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 27 16.290 -11.925 -2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 27 18.469 -11.046 -3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 27 18.642 -12.704 -3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.613 -12.410 -4.887 1.00 0.00 H new ATOM 385 N SER A 28 14.683 -11.448 -4.991 1.00 0.00 N ATOM 386 CA SER A 28 13.904 -10.745 -6.005 1.00 0.00 C ATOM 387 C SER A 28 14.129 -11.346 -7.373 1.00 0.00 C ATOM 388 O SER A 28 15.260 -11.601 -7.798 1.00 0.00 O ATOM 389 CB SER A 28 14.219 -9.229 -5.990 1.00 0.00 C ATOM 390 OG SER A 28 14.848 -8.803 -4.775 1.00 0.00 O ATOM 0 H SER A 28 14.123 -11.987 -4.330 1.00 0.00 H new ATOM 0 HA SER A 28 12.847 -10.864 -5.766 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.868 -8.989 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.294 -8.669 -6.130 1.00 0.00 H new ATOM 0 HG SER A 28 15.026 -7.840 -4.819 1.00 0.00 H new ATOM 396 N ASN A 29 13.045 -11.563 -8.095 1.00 0.00 N ATOM 397 CA ASN A 29 13.106 -12.188 -9.413 1.00 0.00 C ATOM 398 C ASN A 29 12.859 -11.174 -10.506 1.00 0.00 C ATOM 399 O ASN A 29 11.814 -10.517 -10.562 1.00 0.00 O ATOM 400 CB ASN A 29 12.067 -13.345 -9.488 1.00 0.00 C ATOM 401 CG ASN A 29 10.592 -12.945 -9.606 1.00 0.00 C ATOM 402 OD1 ASN A 29 10.036 -12.814 -10.686 1.00 0.00 O ATOM 403 ND2 ASN A 29 9.915 -12.716 -8.514 1.00 0.00 N ATOM 0 H ASN A 29 12.103 -11.315 -7.792 1.00 0.00 H new ATOM 0 HA ASN A 29 14.106 -12.596 -9.563 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.318 -13.972 -10.344 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.181 -13.962 -8.597 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.937 -12.432 -8.570 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.364 -12.821 -7.604 1.00 0.00 H new ATOM 410 N ARG A 30 13.821 -11.039 -11.398 1.00 0.00 N ATOM 411 CA ARG A 30 13.711 -10.136 -12.541 1.00 0.00 C ATOM 412 C ARG A 30 13.549 -8.704 -12.077 1.00 0.00 C ATOM 413 O ARG A 30 14.531 -8.092 -11.597 1.00 0.00 O ATOM 414 CB ARG A 30 12.530 -10.606 -13.437 1.00 0.00 C ATOM 415 CG ARG A 30 12.708 -12.019 -14.055 1.00 0.00 C ATOM 416 CD ARG A 30 11.370 -12.726 -14.306 1.00 0.00 C ATOM 417 NE ARG A 30 11.544 -13.665 -15.442 1.00 0.00 N ATOM 418 CZ ARG A 30 11.933 -14.930 -15.344 1.00 0.00 C ATOM 419 NH1 ARG A 30 12.190 -15.535 -14.223 1.00 0.00 N ATOM 420 NH2 ARG A 30 12.063 -15.596 -16.437 1.00 0.00 N ATOM 0 H ARG A 30 14.703 -11.549 -11.356 1.00 0.00 H new ATOM 0 HA ARG A 30 14.625 -10.165 -13.134 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.615 -10.596 -12.844 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.395 -9.886 -14.244 1.00 0.00 H new ATOM 0 HG2 ARG A 30 13.252 -11.934 -14.996 1.00 0.00 H new ATOM 0 HG3 ARG A 30 13.318 -12.629 -13.388 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.052 -13.265 -13.413 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.592 -11.997 -14.532 1.00 0.00 H new ATOM 0 HE ARG A 30 11.348 -13.308 -16.377 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.097 -15.033 -13.340 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.485 -16.511 -14.226 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.869 -15.149 -17.333 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.360 -16.571 -16.408 1.00 0.00 H new ATOM 434 N SER A 31 12.369 -8.123 -12.161 1.00 0.00 N ATOM 435 CA SER A 31 12.188 -6.699 -11.868 1.00 0.00 C ATOM 436 C SER A 31 10.772 -6.254 -12.156 1.00 0.00 C ATOM 437 O SER A 31 9.836 -7.062 -12.220 1.00 0.00 O ATOM 438 CB SER A 31 13.221 -5.843 -12.641 1.00 0.00 C ATOM 439 OG SER A 31 13.931 -4.932 -11.794 1.00 0.00 O ATOM 0 H SER A 31 11.514 -8.609 -12.430 1.00 0.00 H new ATOM 0 HA SER A 31 12.363 -6.550 -10.803 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.934 -6.502 -13.137 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.709 -5.282 -13.422 1.00 0.00 H new ATOM 0 HG SER A 31 14.571 -4.418 -12.330 1.00 0.00 H new ATOM 445 N TRP A 32 10.583 -4.958 -12.323 1.00 0.00 N ATOM 446 CA TRP A 32 9.283 -4.413 -12.712 1.00 0.00 C ATOM 447 C TRP A 32 8.891 -4.906 -14.085 1.00 0.00 C ATOM 448 O TRP A 32 9.673 -5.574 -14.784 1.00 0.00 O ATOM 449 CB TRP A 32 9.348 -2.858 -12.707 1.00 0.00 C ATOM 450 CG TRP A 32 9.814 -2.200 -11.401 1.00 0.00 C ATOM 451 CD1 TRP A 32 10.652 -2.776 -10.425 1.00 0.00 C ATOM 452 CD2 TRP A 32 9.584 -0.903 -10.979 1.00 0.00 C ATOM 453 NE1 TRP A 32 10.965 -1.863 -9.399 1.00 0.00 N ATOM 454 CE2 TRP A 32 10.288 -0.710 -9.763 1.00 0.00 C ATOM 455 CE3 TRP A 32 8.840 0.161 -11.554 1.00 0.00 C ATOM 456 CZ2 TRP A 32 10.242 0.541 -9.110 1.00 0.00 C ATOM 457 CZ3 TRP A 32 8.862 1.405 -10.921 1.00 0.00 C ATOM 458 CH2 TRP A 32 9.572 1.600 -9.728 1.00 0.00 C ATOM 0 H TRP A 32 11.312 -4.256 -12.196 1.00 0.00 H new ATOM 0 HA TRP A 32 8.532 -4.749 -11.997 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.017 -2.541 -13.507 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.357 -2.474 -12.949 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.011 -3.794 -10.460 1.00 0.00 H new ATOM 0 HE1 TRP A 32 11.553 -2.015 -8.579 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.271 0.011 -12.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 10.717 0.677 -8.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.322 2.232 -11.358 1.00 0.00 H new ATOM 0 HH2 TRP A 32 9.602 2.582 -9.280 1.00 0.00 H new ATOM 469 N ASP A 33 7.690 -4.579 -14.522 1.00 0.00 N ATOM 470 CA ASP A 33 7.144 -5.117 -15.768 1.00 0.00 C ATOM 471 C ASP A 33 6.746 -4.014 -16.722 1.00 0.00 C ATOM 472 O ASP A 33 6.037 -3.066 -16.368 1.00 0.00 O ATOM 473 CB ASP A 33 5.956 -6.066 -15.460 1.00 0.00 C ATOM 474 CG ASP A 33 6.279 -7.566 -15.376 1.00 0.00 C ATOM 475 OD1 ASP A 33 7.418 -7.823 -14.666 1.00 0.00 O ATOM 476 OD2 ASP A 33 5.593 -8.426 -15.909 1.00 0.00 O ATOM 0 H ASP A 33 7.064 -3.939 -14.033 1.00 0.00 H new ATOM 0 HA ASP A 33 7.923 -5.694 -16.266 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.511 -5.759 -14.513 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.197 -5.923 -16.229 1.00 0.00 H new ATOM 481 N LYS A 34 7.186 -4.139 -17.962 1.00 0.00 N ATOM 482 CA LYS A 34 6.769 -3.238 -19.032 1.00 0.00 C ATOM 483 C LYS A 34 5.467 -3.703 -19.644 1.00 0.00 C ATOM 484 O LYS A 34 5.429 -4.348 -20.698 1.00 0.00 O ATOM 485 CB LYS A 34 7.891 -3.144 -20.102 1.00 0.00 C ATOM 486 CG LYS A 34 8.168 -1.695 -20.578 1.00 0.00 C ATOM 487 CD LYS A 34 9.606 -1.423 -21.024 1.00 0.00 C ATOM 488 CE LYS A 34 9.827 -2.023 -22.420 1.00 0.00 C ATOM 489 NZ LYS A 34 11.099 -1.525 -22.973 1.00 0.00 N ATOM 0 H LYS A 34 7.840 -4.863 -18.259 1.00 0.00 H new ATOM 0 HA LYS A 34 6.600 -2.244 -18.617 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.809 -3.566 -19.693 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.615 -3.754 -20.962 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.498 -1.467 -21.407 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.919 -1.009 -19.768 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.796 -0.350 -21.043 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.308 -1.859 -20.313 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.845 -3.111 -22.361 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.001 -1.753 -23.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.249 -1.931 -23.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.065 -0.488 -23.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.882 -1.804 -22.348 1.00 0.00 H new ATOM 503 N VAL A 35 4.372 -3.398 -18.972 1.00 0.00 N ATOM 504 CA VAL A 35 3.058 -3.907 -19.355 1.00 0.00 C ATOM 505 C VAL A 35 2.150 -2.804 -19.846 1.00 0.00 C ATOM 506 O VAL A 35 2.377 -1.611 -19.609 1.00 0.00 O ATOM 507 CB VAL A 35 2.403 -4.656 -18.126 1.00 0.00 C ATOM 508 CG1 VAL A 35 2.585 -6.198 -18.078 1.00 0.00 C ATOM 509 CG2 VAL A 35 2.892 -4.144 -16.749 1.00 0.00 C ATOM 0 H VAL A 35 4.363 -2.795 -18.150 1.00 0.00 H new ATOM 0 HA VAL A 35 3.191 -4.606 -20.181 1.00 0.00 H new ATOM 0 HB VAL A 35 1.353 -4.423 -18.303 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.092 -6.595 -17.190 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.143 -6.644 -18.969 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.648 -6.438 -18.041 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.398 -4.706 -15.956 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.971 -4.280 -16.673 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.651 -3.086 -16.648 1.00 0.00 H new ATOM 519 N TYR A 36 1.098 -3.191 -20.544 1.00 0.00 N ATOM 520 CA TYR A 36 0.053 -2.258 -20.953 1.00 0.00 C ATOM 521 C TYR A 36 -1.059 -2.232 -19.932 1.00 0.00 C ATOM 522 O TYR A 36 -1.971 -3.073 -19.923 1.00 0.00 O ATOM 523 CB TYR A 36 -0.557 -2.661 -22.328 1.00 0.00 C ATOM 524 CG TYR A 36 -0.642 -1.563 -23.395 1.00 0.00 C ATOM 525 CD1 TYR A 36 -1.018 -0.261 -23.052 1.00 0.00 C ATOM 526 CD2 TYR A 36 -0.349 -1.868 -24.729 1.00 0.00 C ATOM 527 CE1 TYR A 36 -1.110 0.722 -24.036 1.00 0.00 C ATOM 528 CE2 TYR A 36 -0.388 -0.872 -25.699 1.00 0.00 C ATOM 529 CZ TYR A 36 -0.786 0.418 -25.356 1.00 0.00 C ATOM 530 OH TYR A 36 -0.858 1.388 -26.315 1.00 0.00 O ATOM 0 H TYR A 36 0.940 -4.153 -20.844 1.00 0.00 H new ATOM 0 HA TYR A 36 0.514 -1.274 -21.035 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.032 -3.484 -22.733 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.562 -3.045 -22.154 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.238 -0.016 -22.023 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.092 -2.880 -25.006 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.432 1.719 -23.775 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.110 -1.099 -26.718 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.598 1.011 -27.182 1.00 0.00 H new ATOM 540 N MET A 37 -0.989 -1.275 -19.018 1.00 0.00 N ATOM 541 CA MET A 37 -1.923 -1.235 -17.896 1.00 0.00 C ATOM 542 C MET A 37 -3.045 -0.251 -18.156 1.00 0.00 C ATOM 543 O MET A 37 -2.947 0.720 -18.911 1.00 0.00 O ATOM 544 CB MET A 37 -1.209 -0.865 -16.562 1.00 0.00 C ATOM 545 CG MET A 37 0.300 -1.171 -16.491 1.00 0.00 C ATOM 546 SD MET A 37 1.212 0.338 -16.125 1.00 0.00 S ATOM 547 CE MET A 37 0.072 1.518 -16.863 1.00 0.00 C ATOM 0 H MET A 37 -0.302 -0.521 -19.028 1.00 0.00 H new ATOM 0 HA MET A 37 -2.340 -2.238 -17.799 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.352 0.200 -16.381 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.705 -1.396 -15.749 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.493 -1.919 -15.722 1.00 0.00 H new ATOM 0 HG3 MET A 37 0.640 -1.592 -17.437 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.595 2.453 -17.062 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.316 1.113 -17.797 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.754 1.704 -16.177 1.00 0.00 H new ATOM 557 N ALA A 38 -4.149 -0.500 -17.477 1.00 0.00 N ATOM 558 CA ALA A 38 -5.301 0.394 -17.433 1.00 0.00 C ATOM 559 C ALA A 38 -5.780 0.486 -15.996 1.00 0.00 C ATOM 560 O ALA A 38 -6.797 -0.084 -15.588 1.00 0.00 O ATOM 561 CB ALA A 38 -6.376 -0.115 -18.407 1.00 0.00 C ATOM 0 H ALA A 38 -4.277 -1.349 -16.926 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.044 1.403 -17.756 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.239 0.551 -18.377 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.970 -0.137 -19.418 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.683 -1.120 -18.117 1.00 0.00 H new ATOM 567 N ALA A 39 -5.003 1.204 -15.205 1.00 0.00 N ATOM 568 CA ALA A 39 -5.185 1.253 -13.761 1.00 0.00 C ATOM 569 C ALA A 39 -4.782 2.601 -13.200 1.00 0.00 C ATOM 570 O ALA A 39 -4.505 3.584 -13.910 1.00 0.00 O ATOM 571 CB ALA A 39 -4.360 0.099 -13.156 1.00 0.00 C ATOM 0 H ALA A 39 -4.226 1.771 -15.544 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.236 1.130 -13.501 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.471 0.102 -12.072 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.716 -0.851 -13.554 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.309 0.229 -13.414 1.00 0.00 H new ATOM 577 N LYS A 40 -4.792 2.660 -11.877 1.00 0.00 N ATOM 578 CA LYS A 40 -4.271 3.796 -11.132 1.00 0.00 C ATOM 579 C LYS A 40 -4.214 3.491 -9.645 1.00 0.00 C ATOM 580 O LYS A 40 -3.210 3.143 -9.021 1.00 0.00 O ATOM 581 CB LYS A 40 -5.174 5.032 -11.376 1.00 0.00 C ATOM 582 CG LYS A 40 -6.558 4.802 -12.060 1.00 0.00 C ATOM 583 CD LYS A 40 -7.541 3.748 -11.517 1.00 0.00 C ATOM 584 CE LYS A 40 -8.772 3.723 -12.437 1.00 0.00 C ATOM 585 NZ LYS A 40 -8.739 2.519 -13.285 1.00 0.00 N ATOM 0 H LYS A 40 -5.164 1.916 -11.286 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.259 4.002 -11.479 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.352 5.511 -10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.613 5.741 -11.986 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.080 5.759 -12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.362 4.550 -13.102 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.068 2.766 -11.487 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.834 3.992 -10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.684 3.733 -11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.789 4.617 -13.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.574 2.508 -13.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.877 2.527 -13.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.743 1.671 -12.684 1.00 0.00 H new ATOM 599 N ALA A 41 -5.387 3.606 -9.045 1.00 0.00 N ATOM 600 CA ALA A 41 -5.634 3.535 -7.608 1.00 0.00 C ATOM 601 C ALA A 41 -7.004 2.919 -7.372 1.00 0.00 C ATOM 602 O ALA A 41 -7.189 1.851 -6.792 1.00 0.00 O ATOM 603 CB ALA A 41 -5.484 4.958 -7.033 1.00 0.00 C ATOM 0 H ALA A 41 -6.244 3.760 -9.576 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.917 2.895 -7.093 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.663 4.937 -5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.475 5.324 -7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.207 5.621 -7.508 1.00 0.00 H new ATOM 609 N GLY A 42 -7.997 3.610 -7.923 1.00 0.00 N ATOM 610 CA GLY A 42 -9.406 3.318 -7.691 1.00 0.00 C ATOM 611 C GLY A 42 -9.749 1.940 -8.208 1.00 0.00 C ATOM 612 O GLY A 42 -10.686 1.288 -7.736 1.00 0.00 O ATOM 0 H GLY A 42 -7.843 4.399 -8.551 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.626 3.379 -6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.026 4.065 -8.188 1.00 0.00 H new ATOM 616 N ARG A 43 -9.022 1.507 -9.220 1.00 0.00 N ATOM 617 CA ARG A 43 -9.113 0.136 -9.710 1.00 0.00 C ATOM 618 C ARG A 43 -7.896 -0.227 -10.530 1.00 0.00 C ATOM 619 O ARG A 43 -7.113 0.655 -10.919 1.00 0.00 O ATOM 620 CB ARG A 43 -10.407 -0.007 -10.557 1.00 0.00 C ATOM 621 CG ARG A 43 -11.660 -0.523 -9.797 1.00 0.00 C ATOM 622 CD ARG A 43 -12.810 -0.893 -10.747 1.00 0.00 C ATOM 623 NE ARG A 43 -13.472 -2.113 -10.223 1.00 0.00 N ATOM 624 CZ ARG A 43 -14.774 -2.363 -10.245 1.00 0.00 C ATOM 625 NH1 ARG A 43 -15.668 -1.558 -10.738 1.00 0.00 N ATOM 626 NH2 ARG A 43 -15.173 -3.479 -9.745 1.00 0.00 N ATOM 0 H ARG A 43 -8.354 2.088 -9.726 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.152 -0.549 -8.863 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.643 0.964 -10.991 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.203 -0.685 -11.385 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.388 -1.396 -9.203 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.000 0.243 -9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.525 -0.073 -10.816 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.430 -1.070 -11.753 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.871 -2.825 -9.808 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -15.383 -0.666 -11.143 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.654 -1.818 -10.720 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.496 -4.133 -9.352 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.166 -3.710 -9.742 1.00 0.00 H new ATOM 640 N ILE A 44 -7.703 -1.492 -10.852 1.00 0.00 N ATOM 641 CA ILE A 44 -6.637 -1.897 -11.772 1.00 0.00 C ATOM 642 C ILE A 44 -7.169 -2.796 -12.863 1.00 0.00 C ATOM 643 O ILE A 44 -8.123 -3.560 -12.677 1.00 0.00 O ATOM 644 CB ILE A 44 -5.419 -2.589 -11.024 1.00 0.00 C ATOM 645 CG1 ILE A 44 -4.304 -1.635 -10.477 1.00 0.00 C ATOM 646 CG2 ILE A 44 -4.716 -3.664 -11.913 1.00 0.00 C ATOM 647 CD1 ILE A 44 -4.702 -0.205 -10.065 1.00 0.00 C ATOM 0 H ILE A 44 -8.267 -2.263 -10.494 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.258 -0.983 -12.228 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.913 -3.035 -10.161 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.851 -2.116 -9.610 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.529 -1.557 -11.240 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.890 -4.110 -11.360 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.433 -4.440 -12.182 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.334 -3.194 -12.819 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.821 0.329 -9.708 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.120 0.318 -10.925 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.446 -0.249 -9.270 1.00 0.00 H new ATOM 659 N SER A 45 -6.554 -2.714 -14.027 1.00 0.00 N ATOM 660 CA SER A 45 -6.827 -3.632 -15.130 1.00 0.00 C ATOM 661 C SER A 45 -5.548 -3.948 -15.872 1.00 0.00 C ATOM 662 O SER A 45 -4.954 -3.075 -16.525 1.00 0.00 O ATOM 663 CB SER A 45 -7.918 -3.073 -16.076 1.00 0.00 C ATOM 664 OG SER A 45 -8.902 -4.049 -16.433 1.00 0.00 O ATOM 0 H SER A 45 -5.848 -2.009 -14.241 1.00 0.00 H new ATOM 0 HA SER A 45 -7.218 -4.562 -14.717 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.410 -2.228 -15.595 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.446 -2.693 -16.982 1.00 0.00 H new ATOM 0 HG SER A 45 -9.565 -3.642 -17.029 1.00 0.00 H new ATOM 670 N PHE A 46 -5.103 -5.188 -15.817 1.00 0.00 N ATOM 671 CA PHE A 46 -3.788 -5.554 -16.352 1.00 0.00 C ATOM 672 C PHE A 46 -3.845 -6.278 -17.682 1.00 0.00 C ATOM 673 O PHE A 46 -4.654 -7.185 -17.903 1.00 0.00 O ATOM 674 CB PHE A 46 -3.079 -6.499 -15.332 1.00 0.00 C ATOM 675 CG PHE A 46 -2.497 -5.826 -14.079 1.00 0.00 C ATOM 676 CD1 PHE A 46 -1.801 -4.618 -14.198 1.00 0.00 C ATOM 677 CD2 PHE A 46 -2.708 -6.374 -12.811 1.00 0.00 C ATOM 678 CE1 PHE A 46 -1.364 -3.944 -13.064 1.00 0.00 C ATOM 679 CE2 PHE A 46 -2.270 -5.698 -11.675 1.00 0.00 C ATOM 680 CZ PHE A 46 -1.644 -4.459 -11.800 1.00 0.00 C ATOM 0 H PHE A 46 -5.625 -5.964 -15.410 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.250 -4.620 -16.510 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.794 -7.258 -15.013 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.272 -7.018 -15.849 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.602 -4.207 -15.177 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.212 -7.324 -12.712 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.809 -3.023 -13.162 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.415 -6.134 -10.698 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.376 -3.898 -10.917 1.00 0.00 H new ATOM 690 N TYR A 47 -2.958 -5.891 -18.579 1.00 0.00 N ATOM 691 CA TYR A 47 -2.757 -6.595 -19.841 1.00 0.00 C ATOM 692 C TYR A 47 -1.398 -6.274 -20.424 1.00 0.00 C ATOM 693 O TYR A 47 -1.207 -5.291 -21.145 1.00 0.00 O ATOM 694 CB TYR A 47 -3.834 -6.195 -20.889 1.00 0.00 C ATOM 695 CG TYR A 47 -4.126 -4.698 -21.048 1.00 0.00 C ATOM 696 CD1 TYR A 47 -4.707 -3.990 -19.992 1.00 0.00 C ATOM 697 CD2 TYR A 47 -3.827 -4.035 -22.242 1.00 0.00 C ATOM 698 CE1 TYR A 47 -4.938 -2.622 -20.110 1.00 0.00 C ATOM 699 CE2 TYR A 47 -4.058 -2.666 -22.356 1.00 0.00 C ATOM 700 CZ TYR A 47 -4.624 -1.964 -21.296 1.00 0.00 C ATOM 701 OH TYR A 47 -4.869 -0.626 -21.421 1.00 0.00 O ATOM 0 H TYR A 47 -2.353 -5.079 -18.457 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.833 -7.660 -19.624 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.525 -6.585 -21.859 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.766 -6.696 -20.626 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.977 -4.505 -19.082 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.417 -4.584 -23.076 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.360 -2.072 -19.282 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.798 -2.149 -23.268 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.590 -0.324 -22.311 1.00 0.00 H new ATOM 711 N LYS A 48 -0.434 -7.131 -20.128 1.00 0.00 N ATOM 712 CA LYS A 48 0.923 -6.994 -20.654 1.00 0.00 C ATOM 713 C LYS A 48 0.914 -6.718 -22.142 1.00 0.00 C ATOM 714 O LYS A 48 1.833 -6.118 -22.710 1.00 0.00 O ATOM 715 CB LYS A 48 1.730 -8.281 -20.335 1.00 0.00 C ATOM 716 CG LYS A 48 3.202 -8.229 -20.817 1.00 0.00 C ATOM 717 CD LYS A 48 4.028 -9.475 -20.485 1.00 0.00 C ATOM 718 CE LYS A 48 5.222 -9.562 -21.445 1.00 0.00 C ATOM 719 NZ LYS A 48 6.470 -9.360 -20.688 1.00 0.00 N ATOM 0 H LYS A 48 -0.565 -7.939 -19.520 1.00 0.00 H new ATOM 0 HA LYS A 48 1.400 -6.141 -20.172 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.715 -8.451 -19.258 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.235 -9.134 -20.799 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.212 -8.080 -21.897 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.686 -7.360 -20.371 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.378 -9.429 -19.454 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.410 -10.369 -20.572 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.236 -10.533 -21.939 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.131 -8.808 -22.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.282 -9.418 -21.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.454 -8.424 -20.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.556 -10.096 -19.958 1.00 0.00 H new ATOM 733 N ASP A 49 -0.146 -7.157 -22.795 1.00 0.00 N ATOM 734 CA ASP A 49 -0.394 -6.851 -24.201 1.00 0.00 C ATOM 735 C ASP A 49 -1.785 -7.279 -24.606 1.00 0.00 C ATOM 736 O ASP A 49 -2.657 -7.539 -23.759 1.00 0.00 O ATOM 737 CB ASP A 49 0.697 -7.497 -25.093 1.00 0.00 C ATOM 738 CG ASP A 49 1.078 -6.738 -26.372 1.00 0.00 C ATOM 739 OD1 ASP A 49 1.001 -5.522 -26.472 1.00 0.00 O ATOM 740 OD2 ASP A 49 1.483 -7.568 -27.381 1.00 0.00 O ATOM 0 H ASP A 49 -0.866 -7.739 -22.367 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.338 -5.772 -24.343 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.597 -7.624 -24.492 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.359 -8.494 -25.376 1.00 0.00 H new ATOM 745 N GLN A 50 -2.044 -7.342 -25.898 1.00 0.00 N ATOM 746 CA GLN A 50 -3.305 -7.880 -26.404 1.00 0.00 C ATOM 747 C GLN A 50 -3.202 -9.370 -26.629 1.00 0.00 C ATOM 748 O GLN A 50 -3.338 -9.873 -27.746 1.00 0.00 O ATOM 749 CB GLN A 50 -3.665 -7.148 -27.714 1.00 0.00 C ATOM 750 CG GLN A 50 -3.855 -5.598 -27.610 1.00 0.00 C ATOM 751 CD GLN A 50 -5.048 -5.043 -26.823 1.00 0.00 C ATOM 752 OE1 GLN A 50 -6.176 -5.479 -26.992 1.00 0.00 O ATOM 753 NE2 GLN A 50 -4.861 -4.100 -25.934 1.00 0.00 N ATOM 0 H GLN A 50 -1.399 -7.028 -26.623 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.093 -7.717 -25.668 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.882 -7.349 -28.445 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.585 -7.580 -28.106 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.949 -5.185 -27.167 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.921 -5.206 -28.625 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.926 -3.723 -25.779 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.651 -3.742 -25.397 1.00 0.00 H new ATOM 762 N LYS A 51 -2.986 -10.121 -25.558 1.00 0.00 N ATOM 763 CA LYS A 51 -2.721 -11.554 -25.665 1.00 0.00 C ATOM 764 C LYS A 51 -3.872 -12.347 -25.097 1.00 0.00 C ATOM 765 O LYS A 51 -4.792 -12.739 -25.855 1.00 0.00 O ATOM 766 CB LYS A 51 -1.393 -11.890 -24.934 1.00 0.00 C ATOM 767 CG LYS A 51 -1.128 -11.093 -23.631 1.00 0.00 C ATOM 768 CD LYS A 51 -0.777 -11.940 -22.398 1.00 0.00 C ATOM 769 CE LYS A 51 0.134 -13.098 -22.821 1.00 0.00 C ATOM 770 NZ LYS A 51 1.300 -13.164 -21.920 1.00 0.00 N ATOM 0 H LYS A 51 -2.989 -9.764 -24.603 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.619 -11.826 -26.716 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.389 -12.954 -24.696 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.566 -11.714 -25.621 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.313 -10.393 -23.813 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.013 -10.499 -23.402 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.278 -11.324 -21.650 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.686 -12.327 -21.938 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.417 -14.038 -22.789 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.464 -12.957 -23.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.975 -13.870 -22.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.762 -12.233 -21.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.987 -13.435 -20.966 1.00 0.00 H new ATOM 784 N GLY A 52 -3.859 -12.641 -23.813 1.00 0.00 N ATOM 785 CA GLY A 52 -5.055 -13.232 -23.178 1.00 0.00 C ATOM 786 C GLY A 52 -6.245 -12.374 -23.616 1.00 0.00 C ATOM 787 O GLY A 52 -7.339 -12.866 -23.886 1.00 0.00 O ATOM 0 H GLY A 52 -3.065 -12.492 -23.190 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.188 -14.268 -23.489 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.957 -13.235 -22.092 1.00 0.00 H new ATOM 791 N TYR A 53 -5.983 -11.085 -23.715 1.00 0.00 N ATOM 792 CA TYR A 53 -6.927 -10.110 -24.255 1.00 0.00 C ATOM 793 C TYR A 53 -7.328 -10.430 -25.680 1.00 0.00 C ATOM 794 O TYR A 53 -8.538 -10.525 -25.990 1.00 0.00 O ATOM 795 CB TYR A 53 -6.303 -8.683 -24.251 1.00 0.00 C ATOM 796 CG TYR A 53 -6.926 -7.655 -23.296 1.00 0.00 C ATOM 797 CD1 TYR A 53 -6.590 -7.679 -21.939 1.00 0.00 C ATOM 798 CD2 TYR A 53 -7.820 -6.691 -23.770 1.00 0.00 C ATOM 799 CE1 TYR A 53 -7.149 -6.752 -21.064 1.00 0.00 C ATOM 800 CE2 TYR A 53 -8.371 -5.759 -22.893 1.00 0.00 C ATOM 801 CZ TYR A 53 -8.047 -5.801 -21.539 1.00 0.00 C ATOM 802 OH TYR A 53 -8.611 -4.902 -20.679 1.00 0.00 O ATOM 0 H TYR A 53 -5.097 -10.674 -23.420 1.00 0.00 H new ATOM 0 HA TYR A 53 -7.808 -10.152 -23.615 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.245 -8.776 -24.006 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.362 -8.284 -25.264 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.895 -8.418 -21.569 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.084 -6.668 -24.817 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.886 -6.771 -20.017 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.049 -5.004 -23.263 1.00 0.00 H new ATOM 0 HH TYR A 53 -9.213 -4.309 -21.175 1.00 0.00 H new ATOM 812 N LYS A 54 -6.390 -10.572 -26.595 1.00 0.00 N ATOM 813 CA LYS A 54 -6.684 -11.030 -27.958 1.00 0.00 C ATOM 814 C LYS A 54 -7.694 -12.160 -27.938 1.00 0.00 C ATOM 815 O LYS A 54 -8.802 -12.065 -28.500 1.00 0.00 O ATOM 816 CB LYS A 54 -5.348 -11.429 -28.656 1.00 0.00 C ATOM 817 CG LYS A 54 -5.574 -12.510 -29.755 1.00 0.00 C ATOM 818 CD LYS A 54 -4.307 -13.131 -30.340 1.00 0.00 C ATOM 819 CE LYS A 54 -3.780 -12.229 -31.468 1.00 0.00 C ATOM 820 NZ LYS A 54 -2.382 -12.582 -31.769 1.00 0.00 N ATOM 0 H LYS A 54 -5.403 -10.377 -26.426 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.140 -10.225 -28.535 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.892 -10.545 -29.103 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.647 -11.807 -27.912 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.187 -13.307 -29.335 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.146 -12.062 -30.568 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.550 -13.243 -29.564 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.520 -14.128 -30.724 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.396 -12.347 -32.360 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.846 -11.182 -31.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.026 -11.971 -32.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.799 -12.448 -30.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.332 -13.576 -32.070 1.00 0.00 H new ATOM 834 N SER A 55 -7.346 -13.261 -27.299 1.00 0.00 N ATOM 835 CA SER A 55 -8.235 -14.419 -27.223 1.00 0.00 C ATOM 836 C SER A 55 -9.542 -14.055 -26.554 1.00 0.00 C ATOM 837 O SER A 55 -10.599 -13.961 -27.188 1.00 0.00 O ATOM 838 CB SER A 55 -7.537 -15.607 -26.517 1.00 0.00 C ATOM 839 OG SER A 55 -8.354 -16.782 -26.467 1.00 0.00 O ATOM 0 H SER A 55 -6.453 -13.384 -26.822 1.00 0.00 H new ATOM 0 HA SER A 55 -8.469 -14.738 -28.239 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.608 -15.838 -27.038 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.269 -15.313 -25.502 1.00 0.00 H new ATOM 0 HG SER A 55 -7.866 -17.501 -26.013 1.00 0.00 H new ATOM 845 N ASN A 56 -9.483 -13.824 -25.253 1.00 0.00 N ATOM 846 CA ASN A 56 -10.681 -13.593 -24.446 1.00 0.00 C ATOM 847 C ASN A 56 -10.610 -12.268 -23.725 1.00 0.00 C ATOM 848 O ASN A 56 -9.573 -11.883 -23.184 1.00 0.00 O ATOM 849 CB ASN A 56 -10.850 -14.757 -23.425 1.00 0.00 C ATOM 850 CG ASN A 56 -11.598 -16.009 -23.899 1.00 0.00 C ATOM 851 OD1 ASN A 56 -11.402 -16.441 -25.115 1.00 0.00 O flip ATOM 852 ND2 ASN A 56 -12.355 -16.630 -23.166 1.00 0.00 N flip ATOM 0 H ASN A 56 -8.611 -13.790 -24.724 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.545 -13.561 -25.109 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.857 -15.063 -23.095 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.370 -14.365 -22.551 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.520 -16.307 -22.213 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.821 -17.470 -23.508 1.00 0.00 H new ATOM 859 N PRO A 57 -11.715 -11.543 -23.688 1.00 0.00 N ATOM 860 CA PRO A 57 -11.885 -10.199 -22.976 1.00 0.00 C ATOM 861 C PRO A 57 -11.851 -10.259 -21.465 1.00 0.00 C ATOM 862 O PRO A 57 -11.595 -9.242 -20.793 1.00 0.00 O ATOM 863 CB PRO A 57 -13.241 -9.663 -23.404 1.00 0.00 C ATOM 864 CG PRO A 57 -14.034 -10.958 -23.638 1.00 0.00 C ATOM 865 CD PRO A 57 -13.013 -11.881 -24.319 1.00 0.00 C ATOM 0 HA PRO A 57 -11.040 -9.570 -23.257 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -13.695 -9.039 -22.634 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.174 -9.056 -24.307 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -14.397 -11.382 -22.702 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.906 -10.787 -24.270 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.265 -12.930 -24.166 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -12.985 -11.713 -25.396 1.00 0.00 H new ATOM 873 N GLU A 58 -12.076 -11.420 -20.880 1.00 0.00 N ATOM 874 CA GLU A 58 -11.962 -11.616 -19.438 1.00 0.00 C ATOM 875 C GLU A 58 -10.629 -12.217 -19.047 1.00 0.00 C ATOM 876 O GLU A 58 -10.461 -12.672 -17.896 1.00 0.00 O ATOM 877 CB GLU A 58 -13.134 -12.532 -18.981 1.00 0.00 C ATOM 878 CG GLU A 58 -13.159 -13.992 -19.542 1.00 0.00 C ATOM 879 CD GLU A 58 -14.487 -14.562 -20.044 1.00 0.00 C ATOM 880 OE1 GLU A 58 -15.353 -13.873 -20.567 1.00 0.00 O ATOM 881 OE2 GLU A 58 -14.614 -15.905 -19.854 1.00 0.00 O ATOM 0 H GLU A 58 -12.345 -12.261 -21.390 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.018 -10.647 -18.942 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.114 -12.588 -17.893 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.070 -12.047 -19.258 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.445 -14.043 -20.364 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.790 -14.654 -18.758 1.00 0.00 H new ATOM 888 N LEU A 59 -9.662 -12.273 -19.944 1.00 0.00 N ATOM 889 CA LEU A 59 -8.332 -12.791 -19.616 1.00 0.00 C ATOM 890 C LEU A 59 -7.251 -11.961 -20.269 1.00 0.00 C ATOM 891 O LEU A 59 -7.492 -11.208 -21.220 1.00 0.00 O ATOM 892 CB LEU A 59 -8.208 -14.286 -20.027 1.00 0.00 C ATOM 893 CG LEU A 59 -9.376 -15.246 -19.671 1.00 0.00 C ATOM 894 CD1 LEU A 59 -9.252 -16.612 -20.366 1.00 0.00 C ATOM 895 CD2 LEU A 59 -9.455 -15.444 -18.152 1.00 0.00 C ATOM 0 H LEU A 59 -9.766 -11.967 -20.911 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.199 -12.723 -18.536 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.064 -14.323 -21.107 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.301 -14.682 -19.571 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.291 -14.778 -20.033 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.094 -17.243 -20.082 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.252 -16.472 -21.447 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.321 -17.091 -20.063 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.278 -16.119 -17.915 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.519 -15.872 -17.792 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.624 -14.482 -17.668 1.00 0.00 H new ATOM 907 N THR A 60 -6.041 -12.070 -19.753 1.00 0.00 N ATOM 908 CA THR A 60 -4.866 -11.443 -20.354 1.00 0.00 C ATOM 909 C THR A 60 -3.618 -12.217 -20.008 1.00 0.00 C ATOM 910 O THR A 60 -3.692 -13.405 -19.634 1.00 0.00 O ATOM 911 CB THR A 60 -4.752 -9.944 -19.899 1.00 0.00 C ATOM 912 OG1 THR A 60 -3.816 -9.778 -18.841 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.049 -9.302 -19.354 1.00 0.00 C ATOM 0 H THR A 60 -5.839 -12.596 -18.903 1.00 0.00 H new ATOM 0 HA THR A 60 -4.977 -11.457 -21.438 1.00 0.00 H new ATOM 0 HB THR A 60 -4.460 -9.457 -20.829 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.998 -8.937 -18.372 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.852 -8.268 -19.071 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.819 -9.327 -20.125 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.391 -9.858 -18.481 1.00 0.00 H new ATOM 921 N PHE A 61 -2.457 -11.606 -20.140 1.00 0.00 N ATOM 922 CA PHE A 61 -1.218 -12.221 -19.653 1.00 0.00 C ATOM 923 C PHE A 61 -1.431 -12.716 -18.238 1.00 0.00 C ATOM 924 O PHE A 61 -2.193 -12.059 -17.483 1.00 0.00 O ATOM 925 CB PHE A 61 -0.053 -11.188 -19.699 1.00 0.00 C ATOM 926 CG PHE A 61 0.721 -10.854 -18.414 1.00 0.00 C ATOM 927 CD1 PHE A 61 1.800 -11.639 -18.003 1.00 0.00 C ATOM 928 CD2 PHE A 61 0.381 -9.711 -17.681 1.00 0.00 C ATOM 929 CE1 PHE A 61 2.552 -11.266 -16.892 1.00 0.00 C ATOM 930 CE2 PHE A 61 1.140 -9.332 -16.579 1.00 0.00 C ATOM 931 CZ PHE A 61 2.209 -10.126 -16.168 1.00 0.00 C ATOM 0 H PHE A 61 -2.336 -10.692 -20.575 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.953 -13.064 -20.292 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.671 -11.546 -20.431 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.461 -10.254 -20.085 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.052 -12.537 -18.548 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.475 -9.121 -17.973 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.402 -11.861 -16.591 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.902 -8.425 -16.043 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.773 -9.857 -15.287 1.00 0.00 H new ATOM 941 N ARG A 62 -0.857 -13.820 -17.808 1.00 0.00 N ATOM 942 CA ARG A 62 -1.200 -14.419 -16.514 1.00 0.00 C ATOM 943 C ARG A 62 -1.053 -13.450 -15.367 1.00 0.00 C ATOM 944 O ARG A 62 -1.431 -13.787 -14.217 1.00 0.00 O ATOM 945 CB ARG A 62 -0.318 -15.679 -16.301 1.00 0.00 C ATOM 946 CG ARG A 62 -0.452 -16.766 -17.402 1.00 0.00 C ATOM 947 CD ARG A 62 0.057 -18.139 -16.946 1.00 0.00 C ATOM 948 NE ARG A 62 1.327 -18.427 -17.660 1.00 0.00 N ATOM 949 CZ ARG A 62 2.543 -18.143 -17.212 1.00 0.00 C ATOM 950 NH1 ARG A 62 2.786 -17.511 -16.102 1.00 0.00 N ATOM 951 NH2 ARG A 62 3.542 -18.523 -17.927 1.00 0.00 N ATOM 0 H ARG A 62 -0.146 -14.331 -18.331 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.253 -14.699 -16.532 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.725 -15.368 -16.243 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.572 -16.124 -15.339 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.498 -16.851 -17.697 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.104 -16.452 -18.285 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.218 -18.145 -15.868 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.683 -18.909 -17.162 1.00 0.00 H new ATOM 0 HE ARG A 62 1.259 -18.881 -18.571 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.014 -17.199 -15.513 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.749 -17.327 -15.820 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.382 -19.022 -18.802 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.494 -18.325 -17.619 1.00 0.00 H new ATOM 965 N GLY A 63 -0.504 -12.273 -15.566 1.00 0.00 N ATOM 966 CA GLY A 63 -0.559 -11.174 -14.586 1.00 0.00 C ATOM 967 C GLY A 63 -1.810 -10.351 -14.956 1.00 0.00 C ATOM 968 O GLY A 63 -1.817 -9.126 -15.078 1.00 0.00 O ATOM 0 H GLY A 63 0.003 -12.034 -16.418 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.630 -11.559 -13.569 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.341 -10.561 -14.633 1.00 0.00 H new ATOM 972 N GLU A 64 -2.883 -11.087 -15.157 1.00 0.00 N ATOM 973 CA GLU A 64 -4.141 -10.593 -15.729 1.00 0.00 C ATOM 974 C GLU A 64 -5.021 -9.772 -14.803 1.00 0.00 C ATOM 975 O GLU A 64 -5.747 -8.878 -15.253 1.00 0.00 O ATOM 976 CB GLU A 64 -4.935 -11.837 -16.245 1.00 0.00 C ATOM 977 CG GLU A 64 -5.328 -12.951 -15.217 1.00 0.00 C ATOM 978 CD GLU A 64 -6.668 -13.669 -15.400 1.00 0.00 C ATOM 979 OE1 GLU A 64 -6.638 -14.652 -16.342 1.00 0.00 O ATOM 980 OE2 GLU A 64 -7.669 -13.385 -14.756 1.00 0.00 O ATOM 0 H GLU A 64 -2.916 -12.079 -14.923 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.869 -9.894 -16.520 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.853 -11.476 -16.709 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.343 -12.305 -17.031 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.542 -13.706 -15.229 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.324 -12.503 -14.224 1.00 0.00 H new ATOM 987 N PRO A 65 -5.002 -10.035 -13.516 1.00 0.00 N ATOM 988 CA PRO A 65 -5.859 -9.488 -12.382 1.00 0.00 C ATOM 989 C PRO A 65 -6.156 -7.997 -12.381 1.00 0.00 C ATOM 990 O PRO A 65 -5.706 -7.186 -13.197 1.00 0.00 O ATOM 991 CB PRO A 65 -5.086 -9.805 -11.106 1.00 0.00 C ATOM 992 CG PRO A 65 -4.545 -11.212 -11.466 1.00 0.00 C ATOM 993 CD PRO A 65 -4.054 -11.036 -12.896 1.00 0.00 C ATOM 0 HA PRO A 65 -6.840 -9.952 -12.486 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -4.288 -9.088 -10.912 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.725 -9.817 -10.223 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.740 -11.518 -10.798 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.322 -11.973 -11.397 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.027 -10.673 -12.918 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.069 -11.982 -13.438 1.00 0.00 H new ATOM 1001 N SER A 66 -6.989 -7.616 -11.414 1.00 0.00 N ATOM 1002 CA SER A 66 -7.495 -6.256 -11.272 1.00 0.00 C ATOM 1003 C SER A 66 -7.483 -5.827 -9.820 1.00 0.00 C ATOM 1004 O SER A 66 -7.040 -6.547 -8.918 1.00 0.00 O ATOM 1005 CB SER A 66 -8.909 -6.122 -11.891 1.00 0.00 C ATOM 1006 OG SER A 66 -9.789 -7.183 -11.502 1.00 0.00 O ATOM 0 H SER A 66 -7.335 -8.254 -10.698 1.00 0.00 H new ATOM 0 HA SER A 66 -6.832 -5.587 -11.821 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.343 -5.168 -11.591 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.825 -6.106 -12.978 1.00 0.00 H new ATOM 0 HG SER A 66 -10.666 -7.049 -11.918 1.00 0.00 H new ATOM 1012 N TYR A 67 -7.993 -4.634 -9.577 1.00 0.00 N ATOM 1013 CA TYR A 67 -8.189 -4.105 -8.231 1.00 0.00 C ATOM 1014 C TYR A 67 -9.302 -3.078 -8.229 1.00 0.00 C ATOM 1015 O TYR A 67 -9.793 -2.643 -9.275 1.00 0.00 O ATOM 1016 CB TYR A 67 -6.874 -3.456 -7.703 1.00 0.00 C ATOM 1017 CG TYR A 67 -5.735 -4.431 -7.368 1.00 0.00 C ATOM 1018 CD1 TYR A 67 -4.849 -4.889 -8.345 1.00 0.00 C ATOM 1019 CD2 TYR A 67 -5.591 -4.879 -6.045 1.00 0.00 C ATOM 1020 CE1 TYR A 67 -3.874 -5.830 -8.022 1.00 0.00 C ATOM 1021 CE2 TYR A 67 -4.629 -5.835 -5.730 1.00 0.00 C ATOM 1022 CZ TYR A 67 -3.766 -6.303 -6.716 1.00 0.00 C ATOM 1023 OH TYR A 67 -2.810 -7.228 -6.404 1.00 0.00 O ATOM 0 H TYR A 67 -8.288 -3.994 -10.314 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.463 -4.931 -7.574 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.514 -2.750 -8.451 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.109 -2.880 -6.808 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.920 -4.512 -9.355 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.228 -4.481 -5.269 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.201 -6.193 -8.785 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.553 -6.213 -4.721 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.175 -7.872 -5.761 1.00 0.00 H new ATOM 1033 N ASP A 68 -9.738 -2.706 -7.041 1.00 0.00 N ATOM 1034 CA ASP A 68 -10.740 -1.659 -6.857 1.00 0.00 C ATOM 1035 C ASP A 68 -10.424 -0.838 -5.630 1.00 0.00 C ATOM 1036 O ASP A 68 -11.049 -0.987 -4.570 1.00 0.00 O ATOM 1037 CB ASP A 68 -12.161 -2.279 -6.800 1.00 0.00 C ATOM 1038 CG ASP A 68 -13.340 -1.303 -6.684 1.00 0.00 C ATOM 1039 OD1 ASP A 68 -13.230 -0.099 -6.858 1.00 0.00 O ATOM 1040 OD2 ASP A 68 -14.520 -1.931 -6.391 1.00 0.00 O ATOM 0 H ASP A 68 -9.409 -3.120 -6.169 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.716 -0.983 -7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.305 -2.880 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.200 -2.961 -5.950 1.00 0.00 H new ATOM 1045 N LEU A 69 -9.448 0.044 -5.741 1.00 0.00 N ATOM 1046 CA LEU A 69 -8.920 0.769 -4.582 1.00 0.00 C ATOM 1047 C LEU A 69 -9.168 2.264 -4.575 1.00 0.00 C ATOM 1048 O LEU A 69 -8.228 3.069 -4.828 1.00 0.00 O ATOM 1049 CB LEU A 69 -7.388 0.487 -4.475 1.00 0.00 C ATOM 1050 CG LEU A 69 -6.886 -0.938 -4.122 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -5.963 -1.453 -5.237 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -6.147 -0.984 -2.774 1.00 0.00 C ATOM 0 H LEU A 69 -8.997 0.282 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.470 0.395 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.940 0.762 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.984 1.168 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.763 -1.579 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.612 -2.454 -4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.513 -1.487 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.108 -0.784 -5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.817 -2.003 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.281 -0.323 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.819 -0.658 -1.980 1.00 0.00 H new ATOM 1064 N GLN A 70 -10.358 2.734 -4.264 1.00 0.00 N ATOM 1065 CA GLN A 70 -10.581 4.149 -3.978 1.00 0.00 C ATOM 1066 C GLN A 70 -10.282 4.439 -2.516 1.00 0.00 C ATOM 1067 O GLN A 70 -10.636 5.461 -1.921 1.00 0.00 O ATOM 1068 CB GLN A 70 -12.030 4.527 -4.350 1.00 0.00 C ATOM 1069 CG GLN A 70 -12.805 3.425 -5.166 1.00 0.00 C ATOM 1070 CD GLN A 70 -13.920 3.817 -6.135 1.00 0.00 C ATOM 1071 OE1 GLN A 70 -14.540 4.862 -6.000 1.00 0.00 O ATOM 1072 NE2 GLN A 70 -14.212 3.043 -7.152 1.00 0.00 N ATOM 0 H GLN A 70 -11.197 2.157 -4.201 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.906 4.759 -4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.583 4.739 -3.435 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.013 5.448 -4.933 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.063 2.867 -5.738 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.236 2.733 -4.443 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.709 2.166 -7.286 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.942 3.318 -7.809 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.616 3.490 -1.879 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.187 3.475 -0.483 1.00 0.00 C ATOM 1083 C ASN A 71 -7.707 3.723 -0.317 1.00 0.00 C ATOM 1084 O ASN A 71 -7.239 4.181 0.735 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.553 2.065 0.083 1.00 0.00 C ATOM 1086 CG ASN A 71 -11.037 1.816 0.370 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -11.494 1.660 1.492 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -11.860 1.783 -0.651 1.00 0.00 N ATOM 0 H ASN A 71 -9.336 2.637 -2.363 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.688 4.281 0.053 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.210 1.312 -0.626 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.995 1.911 1.007 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.857 1.630 -0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.503 1.911 -1.598 1.00 0.00 H new ATOM 1095 N ALA A 72 -6.934 3.404 -1.338 1.00 0.00 N ATOM 1096 CA ALA A 72 -5.473 3.424 -1.272 1.00 0.00 C ATOM 1097 C ALA A 72 -4.934 4.777 -0.856 1.00 0.00 C ATOM 1098 O ALA A 72 -5.641 5.777 -0.703 1.00 0.00 O ATOM 1099 CB ALA A 72 -4.932 2.985 -2.646 1.00 0.00 C ATOM 0 H ALA A 72 -7.299 3.120 -2.247 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.133 2.732 -0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.842 2.990 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.286 1.979 -2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.285 3.674 -3.413 1.00 0.00 H new ATOM 1105 N ALA A 73 -3.620 4.824 -0.687 1.00 0.00 N ATOM 1106 CA ALA A 73 -2.901 6.021 -0.263 1.00 0.00 C ATOM 1107 C ALA A 73 -1.769 6.327 -1.214 1.00 0.00 C ATOM 1108 O ALA A 73 -0.978 5.441 -1.581 1.00 0.00 O ATOM 1109 CB ALA A 73 -2.423 5.794 1.183 1.00 0.00 C ATOM 0 H ALA A 73 -3.012 4.020 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.550 6.896 -0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.881 6.674 1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.284 5.622 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.765 4.926 1.217 1.00 0.00 H new ATOM 1115 N ILE A 74 -1.640 7.575 -1.622 1.00 0.00 N ATOM 1116 CA ILE A 74 -0.677 7.948 -2.658 1.00 0.00 C ATOM 1117 C ILE A 74 0.620 8.454 -2.066 1.00 0.00 C ATOM 1118 O ILE A 74 0.653 9.125 -1.029 1.00 0.00 O ATOM 1119 CB ILE A 74 -1.306 8.993 -3.665 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -1.856 8.367 -4.988 1.00 0.00 C ATOM 1121 CG2 ILE A 74 -0.320 10.141 -4.044 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -2.698 9.304 -5.876 1.00 0.00 C ATOM 0 H ILE A 74 -2.188 8.354 -1.256 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.435 7.047 -3.222 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.148 9.397 -3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.012 8.004 -5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.463 7.499 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.808 10.826 -4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.028 10.682 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.567 9.718 -4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.026 8.765 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.569 9.649 -5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.095 10.162 -6.174 1.00 0.00 H new ATOM 1134 N GLU A 75 1.712 8.150 -2.745 1.00 0.00 N ATOM 1135 CA GLU A 75 3.027 8.670 -2.383 1.00 0.00 C ATOM 1136 C GLU A 75 4.045 8.366 -3.456 1.00 0.00 C ATOM 1137 O GLU A 75 3.842 7.510 -4.326 1.00 0.00 O ATOM 1138 CB GLU A 75 3.444 8.046 -1.021 1.00 0.00 C ATOM 1139 CG GLU A 75 3.939 6.562 -1.038 1.00 0.00 C ATOM 1140 CD GLU A 75 3.122 5.515 -0.275 1.00 0.00 C ATOM 1141 OE1 GLU A 75 1.893 5.278 -0.811 1.00 0.00 O ATOM 1142 OE2 GLU A 75 3.539 4.945 0.726 1.00 0.00 O ATOM 0 H GLU A 75 1.717 7.538 -3.561 1.00 0.00 H new ATOM 0 HA GLU A 75 2.980 9.755 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.236 8.662 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.592 8.110 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.999 6.243 -2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.954 6.546 -0.641 1.00 0.00 H new ATOM 1149 N ILE A 76 5.155 9.079 -3.429 1.00 0.00 N ATOM 1150 CA ILE A 76 6.285 8.792 -4.309 1.00 0.00 C ATOM 1151 C ILE A 76 7.365 8.052 -3.556 1.00 0.00 C ATOM 1152 O ILE A 76 7.409 8.073 -2.313 1.00 0.00 O ATOM 1153 CB ILE A 76 6.841 10.107 -4.993 1.00 0.00 C ATOM 1154 CG1 ILE A 76 5.780 10.907 -5.815 1.00 0.00 C ATOM 1155 CG2 ILE A 76 8.068 9.837 -5.917 1.00 0.00 C ATOM 1156 CD1 ILE A 76 6.042 11.009 -7.332 1.00 0.00 C ATOM 0 H ILE A 76 5.304 9.870 -2.802 1.00 0.00 H new ATOM 0 HA ILE A 76 5.933 8.146 -5.113 1.00 0.00 H new ATOM 0 HB ILE A 76 7.143 10.717 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.806 10.442 -5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.718 11.916 -5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.405 10.775 -6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.876 9.401 -5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.781 9.146 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.244 11.585 -7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.997 11.506 -7.504 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.070 10.009 -7.764 1.00 0.00 H new ATOM 1168 N ALA A 77 8.268 7.401 -4.266 1.00 0.00 N ATOM 1169 CA ALA A 77 9.430 6.776 -3.636 1.00 0.00 C ATOM 1170 C ALA A 77 10.292 7.813 -2.954 1.00 0.00 C ATOM 1171 O ALA A 77 10.109 9.025 -3.128 1.00 0.00 O ATOM 1172 CB ALA A 77 10.183 5.984 -4.720 1.00 0.00 C ATOM 0 H ALA A 77 8.225 7.288 -5.279 1.00 0.00 H new ATOM 0 HA ALA A 77 9.125 6.086 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.057 5.505 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.524 5.223 -5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.501 6.663 -5.511 1.00 0.00 H new ATOM 1178 N SER A 78 11.233 7.363 -2.145 1.00 0.00 N ATOM 1179 CA SER A 78 12.075 8.263 -1.358 1.00 0.00 C ATOM 1180 C SER A 78 13.544 7.966 -1.561 1.00 0.00 C ATOM 1181 O SER A 78 14.352 8.846 -1.875 1.00 0.00 O ATOM 1182 CB SER A 78 11.688 8.204 0.140 1.00 0.00 C ATOM 1183 OG SER A 78 11.592 9.500 0.742 1.00 0.00 O ATOM 0 H SER A 78 11.439 6.373 -2.011 1.00 0.00 H new ATOM 0 HA SER A 78 11.901 9.279 -1.711 1.00 0.00 H new ATOM 0 HB2 SER A 78 10.733 7.689 0.243 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.429 7.613 0.678 1.00 0.00 H new ATOM 0 HG SER A 78 11.344 9.405 1.685 1.00 0.00 H new ATOM 1189 N ASP A 79 13.908 6.708 -1.399 1.00 0.00 N ATOM 1190 CA ASP A 79 15.297 6.264 -1.494 1.00 0.00 C ATOM 1191 C ASP A 79 15.500 5.441 -2.746 1.00 0.00 C ATOM 1192 O ASP A 79 15.826 4.249 -2.714 1.00 0.00 O ATOM 1193 CB ASP A 79 15.708 5.495 -0.212 1.00 0.00 C ATOM 1194 CG ASP A 79 16.024 6.343 1.029 1.00 0.00 C ATOM 1195 OD1 ASP A 79 17.287 6.867 1.004 1.00 0.00 O ATOM 1196 OD2 ASP A 79 15.229 6.515 1.942 1.00 0.00 O ATOM 0 H ASP A 79 13.249 5.956 -1.196 1.00 0.00 H new ATOM 0 HA ASP A 79 15.949 7.135 -1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.904 4.805 0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.585 4.891 -0.444 1.00 0.00 H new ATOM 1201 N TYR A 80 15.299 6.085 -3.884 1.00 0.00 N ATOM 1202 CA TYR A 80 15.289 5.413 -5.180 1.00 0.00 C ATOM 1203 C TYR A 80 16.651 4.910 -5.602 1.00 0.00 C ATOM 1204 O TYR A 80 16.840 3.690 -5.819 1.00 0.00 O ATOM 1205 CB TYR A 80 14.811 6.383 -6.307 1.00 0.00 C ATOM 1206 CG TYR A 80 13.758 7.438 -5.966 1.00 0.00 C ATOM 1207 CD1 TYR A 80 14.152 8.639 -5.359 1.00 0.00 C ATOM 1208 CD2 TYR A 80 12.403 7.222 -6.239 1.00 0.00 C ATOM 1209 CE1 TYR A 80 13.209 9.620 -5.066 1.00 0.00 C ATOM 1210 CE2 TYR A 80 11.467 8.219 -5.972 1.00 0.00 C ATOM 1211 CZ TYR A 80 11.877 9.430 -5.422 1.00 0.00 C ATOM 1212 OH TYR A 80 10.970 10.435 -5.234 1.00 0.00 O ATOM 0 H TYR A 80 15.138 7.091 -3.939 1.00 0.00 H new ATOM 0 HA TYR A 80 14.611 4.569 -5.053 1.00 0.00 H new ATOM 0 HB2 TYR A 80 15.689 6.903 -6.690 1.00 0.00 H new ATOM 0 HB3 TYR A 80 14.419 5.775 -7.123 1.00 0.00 H new ATOM 0 HD1 TYR A 80 15.192 8.804 -5.118 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.082 6.280 -6.658 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.510 10.527 -4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 80 10.423 8.052 -6.192 1.00 0.00 H new ATOM 0 HH TYR A 80 10.490 10.290 -4.392 1.00 0.00 H new ATOM 1222 N THR A 81 17.636 5.783 -5.710 1.00 0.00 N ATOM 1223 CA THR A 81 18.913 5.392 -6.325 1.00 0.00 C ATOM 1224 C THR A 81 18.594 4.814 -7.694 1.00 0.00 C ATOM 1225 O THR A 81 19.139 3.813 -8.164 1.00 0.00 O ATOM 1226 CB THR A 81 19.711 4.386 -5.432 1.00 0.00 C ATOM 1227 OG1 THR A 81 19.456 4.629 -4.054 1.00 0.00 O ATOM 1228 CG2 THR A 81 21.251 4.435 -5.554 1.00 0.00 C ATOM 0 H THR A 81 17.590 6.751 -5.390 1.00 0.00 H new ATOM 0 HA THR A 81 19.564 6.260 -6.426 1.00 0.00 H new ATOM 0 HB THR A 81 19.361 3.420 -5.796 1.00 0.00 H new ATOM 0 HG1 THR A 81 19.962 3.990 -3.510 1.00 0.00 H new ATOM 0 HG21 THR A 81 21.693 3.693 -4.888 1.00 0.00 H new ATOM 0 HG22 THR A 81 21.542 4.219 -6.582 1.00 0.00 H new ATOM 0 HG23 THR A 81 21.606 5.428 -5.278 1.00 0.00 H new ATOM 1236 N LYS A 82 17.649 5.458 -8.349 1.00 0.00 N ATOM 1237 CA LYS A 82 16.952 5.048 -9.566 1.00 0.00 C ATOM 1238 C LYS A 82 15.596 4.502 -9.162 1.00 0.00 C ATOM 1239 O LYS A 82 15.482 3.646 -8.281 1.00 0.00 O ATOM 1240 CB LYS A 82 17.759 4.015 -10.404 1.00 0.00 C ATOM 1241 CG LYS A 82 17.137 3.826 -11.821 1.00 0.00 C ATOM 1242 CD LYS A 82 17.456 2.489 -12.492 1.00 0.00 C ATOM 1243 CE LYS A 82 18.940 2.467 -12.887 1.00 0.00 C ATOM 1244 NZ LYS A 82 19.486 1.116 -12.669 1.00 0.00 N ATOM 0 H LYS A 82 17.315 6.363 -8.019 1.00 0.00 H new ATOM 0 HA LYS A 82 16.834 5.913 -10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.792 4.349 -10.500 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.780 3.058 -9.883 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.055 3.927 -11.743 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.487 4.632 -12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.235 1.665 -11.813 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.830 2.352 -13.374 1.00 0.00 H new ATOM 0 HE2 LYS A 82 19.053 2.752 -13.933 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.496 3.195 -12.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 20.491 1.100 -12.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.391 0.861 -11.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.962 0.432 -13.251 1.00 0.00 H new ATOM 1258 N LYS A 83 14.561 5.012 -9.783 1.00 0.00 N ATOM 1259 CA LYS A 83 13.142 4.885 -9.470 1.00 0.00 C ATOM 1260 C LYS A 83 12.589 6.262 -9.123 1.00 0.00 C ATOM 1261 O LYS A 83 11.398 6.435 -8.843 1.00 0.00 O ATOM 1262 CB LYS A 83 12.843 3.909 -8.294 1.00 0.00 C ATOM 1263 CG LYS A 83 13.023 2.402 -8.618 1.00 0.00 C ATOM 1264 CD LYS A 83 12.921 1.951 -10.074 1.00 0.00 C ATOM 1265 CE LYS A 83 14.316 1.710 -10.669 1.00 0.00 C ATOM 1266 NZ LYS A 83 15.115 0.868 -9.760 1.00 0.00 N ATOM 0 H LYS A 83 14.698 5.591 -10.612 1.00 0.00 H new ATOM 0 HA LYS A 83 12.661 4.466 -10.354 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.494 4.164 -7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.818 4.072 -7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.001 2.097 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.277 1.849 -8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.331 1.036 -10.136 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.397 2.708 -10.658 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.227 1.226 -11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.820 2.663 -10.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 15.743 0.254 -10.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.687 1.474 -9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.480 0.281 -9.183 1.00 0.00 H new ATOM 1280 N LYS A 84 13.445 7.281 -9.120 1.00 0.00 N ATOM 1281 CA LYS A 84 13.040 8.690 -8.961 1.00 0.00 C ATOM 1282 C LYS A 84 12.292 9.283 -10.148 1.00 0.00 C ATOM 1283 O LYS A 84 12.026 10.484 -10.230 1.00 0.00 O ATOM 1284 CB LYS A 84 14.310 9.544 -8.689 1.00 0.00 C ATOM 1285 CG LYS A 84 14.213 10.577 -7.543 1.00 0.00 C ATOM 1286 CD LYS A 84 15.488 11.397 -7.318 1.00 0.00 C ATOM 1287 CE LYS A 84 16.577 10.491 -6.727 1.00 0.00 C ATOM 1288 NZ LYS A 84 17.879 10.829 -7.330 1.00 0.00 N ATOM 0 H LYS A 84 14.452 7.158 -9.229 1.00 0.00 H new ATOM 0 HA LYS A 84 12.337 8.710 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.136 8.867 -8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.568 10.074 -9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.390 11.259 -7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.964 10.054 -6.619 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.828 11.827 -8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.285 12.228 -6.643 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.622 10.617 -5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.337 9.445 -6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.617 10.215 -6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.832 10.688 -8.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.108 11.823 -7.127 1.00 0.00 H new ATOM 1302 N HIS A 85 11.934 8.414 -11.068 1.00 0.00 N ATOM 1303 CA HIS A 85 11.078 8.733 -12.205 1.00 0.00 C ATOM 1304 C HIS A 85 9.786 7.951 -12.107 1.00 0.00 C ATOM 1305 O HIS A 85 9.274 7.398 -13.086 1.00 0.00 O ATOM 1306 CB HIS A 85 11.886 8.334 -13.454 1.00 0.00 C ATOM 1307 CG HIS A 85 13.312 8.806 -13.393 1.00 0.00 C ATOM 1308 ND1 HIS A 85 14.292 8.198 -12.622 1.00 0.00 N flip ATOM 1309 CD2 HIS A 85 13.822 9.900 -14.096 1.00 0.00 C flip ATOM 1310 CE1 HIS A 85 15.465 8.885 -12.808 1.00 0.00 C flip ATOM 1311 NE2 HIS A 85 15.102 9.861 -13.684 1.00 0.00 N flip ATOM 0 H HIS A 85 12.234 7.439 -11.051 1.00 0.00 H new ATOM 0 HA HIS A 85 10.805 9.788 -12.240 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.870 7.249 -13.562 1.00 0.00 H new ATOM 0 HB3 HIS A 85 11.407 8.749 -14.341 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.330 10.581 -14.775 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.434 8.698 -12.369 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.782 10.544 -14.019 1.00 0.00 H new ATOM 1319 N VAL A 86 9.232 7.916 -10.905 1.00 0.00 N ATOM 1320 CA VAL A 86 8.087 7.063 -10.602 1.00 0.00 C ATOM 1321 C VAL A 86 7.175 7.643 -9.538 1.00 0.00 C ATOM 1322 O VAL A 86 7.514 8.518 -8.736 1.00 0.00 O ATOM 1323 CB VAL A 86 8.614 5.645 -10.138 1.00 0.00 C ATOM 1324 CG1 VAL A 86 8.796 5.447 -8.608 1.00 0.00 C ATOM 1325 CG2 VAL A 86 7.736 4.456 -10.595 1.00 0.00 C ATOM 0 H VAL A 86 9.558 8.473 -10.115 1.00 0.00 H new ATOM 0 HA VAL A 86 7.491 6.981 -11.511 1.00 0.00 H new ATOM 0 HB VAL A 86 9.587 5.645 -10.630 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.161 4.439 -8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.516 6.173 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.839 5.590 -8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.170 3.523 -10.234 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.731 4.569 -10.190 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.688 4.436 -11.684 1.00 0.00 H new ATOM 1335 N LEU A 87 5.958 7.120 -9.507 1.00 0.00 N ATOM 1336 CA LEU A 87 4.952 7.379 -8.480 1.00 0.00 C ATOM 1337 C LEU A 87 4.488 6.092 -7.840 1.00 0.00 C ATOM 1338 O LEU A 87 4.944 4.989 -8.239 1.00 0.00 O ATOM 1339 CB LEU A 87 3.756 8.170 -9.088 1.00 0.00 C ATOM 1340 CG LEU A 87 3.424 7.920 -10.587 1.00 0.00 C ATOM 1341 CD1 LEU A 87 2.017 8.396 -10.976 1.00 0.00 C ATOM 1342 CD2 LEU A 87 4.470 8.604 -11.478 1.00 0.00 C ATOM 0 H LEU A 87 5.628 6.476 -10.226 1.00 0.00 H new ATOM 0 HA LEU A 87 5.404 7.989 -7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.866 7.939 -8.502 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.955 9.234 -8.959 1.00 0.00 H new ATOM 0 HG LEU A 87 3.449 6.841 -10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.844 8.195 -12.033 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.275 7.865 -10.379 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.931 9.467 -10.792 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.229 8.424 -12.526 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.467 9.677 -11.285 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.457 8.198 -11.257 1.00 0.00 H new ATOM 1354 N ARG A 88 3.644 6.123 -6.825 1.00 0.00 N ATOM 1355 CA ARG A 88 3.042 4.891 -6.294 1.00 0.00 C ATOM 1356 C ARG A 88 1.790 5.132 -5.481 1.00 0.00 C ATOM 1357 O ARG A 88 1.582 6.186 -4.871 1.00 0.00 O ATOM 1358 CB ARG A 88 4.113 4.157 -5.439 1.00 0.00 C ATOM 1359 CG ARG A 88 4.366 4.739 -4.024 1.00 0.00 C ATOM 1360 CD ARG A 88 5.709 5.474 -3.924 1.00 0.00 C ATOM 1361 NE ARG A 88 6.793 4.467 -3.806 1.00 0.00 N ATOM 1362 CZ ARG A 88 7.240 3.946 -2.671 1.00 0.00 C ATOM 1363 NH1 ARG A 88 6.779 4.249 -1.494 1.00 0.00 N ATOM 1364 NH2 ARG A 88 8.194 3.087 -2.747 1.00 0.00 N ATOM 0 H ARG A 88 3.355 6.977 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 88 2.727 4.280 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.813 3.114 -5.334 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.055 4.164 -5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.559 5.426 -3.767 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.342 3.931 -3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.866 6.097 -4.805 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.713 6.138 -3.059 1.00 0.00 H new ATOM 0 HE ARG A 88 7.231 4.149 -4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.024 4.928 -1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.172 3.807 -0.663 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.578 2.830 -3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.567 2.662 -1.898 1.00 0.00 H new ATOM 1378 N VAL A 89 0.910 4.143 -5.482 1.00 0.00 N ATOM 1379 CA VAL A 89 -0.255 4.131 -4.594 1.00 0.00 C ATOM 1380 C VAL A 89 -0.213 2.893 -3.722 1.00 0.00 C ATOM 1381 O VAL A 89 0.349 1.857 -4.094 1.00 0.00 O ATOM 1382 CB VAL A 89 -1.625 4.199 -5.380 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -1.587 3.769 -6.875 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -2.758 3.367 -4.720 1.00 0.00 C ATOM 0 H VAL A 89 0.977 3.328 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.204 5.028 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.827 5.269 -5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.585 3.859 -7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.897 4.412 -7.421 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.252 2.734 -6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.669 3.459 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.460 2.320 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.941 3.738 -3.711 1.00 0.00 H new ATOM 1394 N LYS A 90 -0.792 2.992 -2.541 1.00 0.00 N ATOM 1395 CA LYS A 90 -0.700 1.936 -1.537 1.00 0.00 C ATOM 1396 C LYS A 90 -2.066 1.390 -1.199 1.00 0.00 C ATOM 1397 O LYS A 90 -2.988 2.128 -0.834 1.00 0.00 O ATOM 1398 CB LYS A 90 0.007 2.498 -0.272 1.00 0.00 C ATOM 1399 CG LYS A 90 0.415 1.425 0.768 1.00 0.00 C ATOM 1400 CD LYS A 90 0.285 1.865 2.229 1.00 0.00 C ATOM 1401 CE LYS A 90 1.630 1.660 2.941 1.00 0.00 C ATOM 1402 NZ LYS A 90 1.463 0.682 4.030 1.00 0.00 N ATOM 0 H LYS A 90 -1.339 3.801 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.113 1.109 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.899 3.043 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.655 3.218 0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.200 0.538 0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.448 1.133 0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.011 2.913 2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.495 1.289 2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.379 1.307 2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.991 2.608 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.373 0.542 4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.761 1.036 4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.137 -0.224 3.636 1.00 0.00 H new ATOM 1416 N LEU A 91 -2.221 0.079 -1.290 1.00 0.00 N ATOM 1417 CA LEU A 91 -3.453 -0.576 -0.850 1.00 0.00 C ATOM 1418 C LEU A 91 -3.436 -0.762 0.649 1.00 0.00 C ATOM 1419 O LEU A 91 -2.620 -0.187 1.377 1.00 0.00 O ATOM 1420 CB LEU A 91 -3.679 -1.959 -1.534 1.00 0.00 C ATOM 1421 CG LEU A 91 -3.378 -2.154 -3.052 1.00 0.00 C ATOM 1422 CD1 LEU A 91 -1.883 -1.975 -3.350 1.00 0.00 C ATOM 1423 CD2 LEU A 91 -3.826 -3.547 -3.549 1.00 0.00 C ATOM 0 H LEU A 91 -1.514 -0.555 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.275 0.077 -1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.077 -2.688 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.724 -2.228 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.947 -1.390 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.705 -2.117 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.572 -0.971 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.309 -2.710 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.600 -3.645 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.296 -4.320 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.899 -3.660 -3.395 1.00 0.00 H new ATOM 1435 N ALA A 92 -4.340 -1.595 1.130 1.00 0.00 N ATOM 1436 CA ALA A 92 -4.334 -2.024 2.525 1.00 0.00 C ATOM 1437 C ALA A 92 -4.140 -3.522 2.613 1.00 0.00 C ATOM 1438 O ALA A 92 -4.716 -4.213 3.460 1.00 0.00 O ATOM 1439 CB ALA A 92 -5.641 -1.541 3.177 1.00 0.00 C ATOM 0 H ALA A 92 -5.096 -1.994 0.573 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.499 -1.584 3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.662 -1.849 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.697 -0.454 3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.492 -1.977 2.653 1.00 0.00 H new ATOM 1445 N ASN A 93 -3.332 -4.045 1.705 1.00 0.00 N ATOM 1446 CA ASN A 93 -2.927 -5.449 1.735 1.00 0.00 C ATOM 1447 C ASN A 93 -1.428 -5.594 1.587 1.00 0.00 C ATOM 1448 O ASN A 93 -0.925 -6.711 1.342 1.00 0.00 O ATOM 1449 CB ASN A 93 -3.674 -6.235 0.616 1.00 0.00 C ATOM 1450 CG ASN A 93 -3.142 -6.115 -0.817 1.00 0.00 C ATOM 1451 OD1 ASN A 93 -1.953 -6.182 -1.088 1.00 0.00 O ATOM 1452 ND2 ASN A 93 -4.001 -5.960 -1.790 1.00 0.00 N ATOM 0 H ASN A 93 -2.938 -3.515 0.928 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.198 -5.867 2.705 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.670 -7.291 0.888 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.714 -5.910 0.616 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.674 -5.897 -2.754 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.999 -5.902 -1.585 1.00 0.00 H new ATOM 1459 N GLY A 94 -0.665 -4.529 1.744 1.00 0.00 N ATOM 1460 CA GLY A 94 0.798 -4.620 1.759 1.00 0.00 C ATOM 1461 C GLY A 94 1.416 -4.270 0.428 1.00 0.00 C ATOM 1462 O GLY A 94 2.587 -3.852 0.353 1.00 0.00 O ATOM 0 H GLY A 94 -1.028 -3.583 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.192 -3.952 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.092 -5.632 2.037 1.00 0.00 H new ATOM 1466 N ALA A 95 0.670 -4.397 -0.652 1.00 0.00 N ATOM 1467 CA ALA A 95 1.215 -4.228 -1.999 1.00 0.00 C ATOM 1468 C ALA A 95 1.161 -2.787 -2.447 1.00 0.00 C ATOM 1469 O ALA A 95 0.504 -1.936 -1.838 1.00 0.00 O ATOM 1470 CB ALA A 95 0.431 -5.169 -2.930 1.00 0.00 C ATOM 0 H ALA A 95 -0.325 -4.619 -0.629 1.00 0.00 H new ATOM 0 HA ALA A 95 2.273 -4.490 -2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.809 -5.072 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.554 -6.199 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.626 -4.904 -2.909 1.00 0.00 H new ATOM 1476 N LEU A 96 1.875 -2.481 -3.518 1.00 0.00 N ATOM 1477 CA LEU A 96 1.861 -1.141 -4.099 1.00 0.00 C ATOM 1478 C LEU A 96 1.950 -1.184 -5.607 1.00 0.00 C ATOM 1479 O LEU A 96 2.472 -2.132 -6.203 1.00 0.00 O ATOM 1480 CB LEU A 96 3.020 -0.284 -3.510 1.00 0.00 C ATOM 1481 CG LEU A 96 3.787 -0.825 -2.274 1.00 0.00 C ATOM 1482 CD1 LEU A 96 4.932 -1.745 -2.723 1.00 0.00 C ATOM 1483 CD2 LEU A 96 4.352 0.297 -1.385 1.00 0.00 C ATOM 0 H LEU A 96 2.476 -3.144 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 96 0.909 -0.678 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.747 -0.119 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.610 0.691 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 96 3.065 -1.383 -1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.463 -2.119 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.525 -2.585 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.622 -1.185 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.878 -0.141 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.044 0.907 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.535 0.921 -1.023 1.00 0.00 H new ATOM 1495 N PHE A 97 1.416 -0.163 -6.255 1.00 0.00 N ATOM 1496 CA PHE A 97 1.561 0.004 -7.700 1.00 0.00 C ATOM 1497 C PHE A 97 2.501 1.151 -8.002 1.00 0.00 C ATOM 1498 O PHE A 97 2.095 2.320 -7.996 1.00 0.00 O ATOM 1499 CB PHE A 97 0.176 0.281 -8.368 1.00 0.00 C ATOM 1500 CG PHE A 97 -0.961 -0.652 -7.925 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -0.695 -1.990 -7.613 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.269 -0.166 -7.828 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -1.737 -2.842 -7.251 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -3.306 -1.016 -7.461 1.00 0.00 C ATOM 1505 CZ PHE A 97 -3.041 -2.355 -7.180 1.00 0.00 C ATOM 0 H PHE A 97 0.872 0.572 -5.803 1.00 0.00 H new ATOM 0 HA PHE A 97 1.971 -0.920 -8.107 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.114 1.309 -8.153 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.289 0.202 -9.449 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.318 -2.363 -7.653 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.474 0.873 -8.039 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.534 -3.879 -7.026 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.316 -0.639 -7.394 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.849 -3.018 -6.906 1.00 0.00 H new ATOM 1515 N LEU A 98 3.764 0.847 -8.239 1.00 0.00 N ATOM 1516 CA LEU A 98 4.766 1.863 -8.568 1.00 0.00 C ATOM 1517 C LEU A 98 4.794 2.131 -10.054 1.00 0.00 C ATOM 1518 O LEU A 98 5.059 1.229 -10.863 1.00 0.00 O ATOM 1519 CB LEU A 98 6.176 1.445 -8.058 1.00 0.00 C ATOM 1520 CG LEU A 98 6.328 1.007 -6.575 1.00 0.00 C ATOM 1521 CD1 LEU A 98 6.060 -0.499 -6.442 1.00 0.00 C ATOM 1522 CD2 LEU A 98 7.713 1.340 -5.999 1.00 0.00 C ATOM 0 H LEU A 98 4.130 -0.105 -8.211 1.00 0.00 H new ATOM 0 HA LEU A 98 4.484 2.786 -8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.525 0.623 -8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.852 2.283 -8.227 1.00 0.00 H new ATOM 0 HG LEU A 98 5.593 1.570 -5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.169 -0.797 -5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.047 -0.719 -6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.774 -1.051 -7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.764 1.012 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.481 0.828 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.878 2.416 -6.048 1.00 0.00 H new ATOM 1534 N LEU A 99 4.557 3.362 -10.466 1.00 0.00 N ATOM 1535 CA LEU A 99 4.395 3.687 -11.882 1.00 0.00 C ATOM 1536 C LEU A 99 5.612 4.354 -12.475 1.00 0.00 C ATOM 1537 O LEU A 99 5.791 5.589 -12.257 1.00 0.00 O ATOM 1538 CB LEU A 99 3.152 4.610 -12.071 1.00 0.00 C ATOM 1539 CG LEU A 99 2.087 4.650 -10.940 1.00 0.00 C ATOM 1540 CD1 LEU A 99 0.891 5.508 -11.369 1.00 0.00 C ATOM 1541 CD2 LEU A 99 1.606 3.255 -10.523 1.00 0.00 C ATOM 0 H LEU A 99 4.471 4.163 -9.840 1.00 0.00 H new ATOM 0 HA LEU A 99 4.255 2.744 -12.410 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.513 5.627 -12.224 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.650 4.308 -12.990 1.00 0.00 H new ATOM 0 HG LEU A 99 2.570 5.095 -10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.152 5.528 -10.568 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.228 6.523 -11.578 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.442 5.083 -12.267 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.864 3.348 -9.730 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.160 2.752 -11.381 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.452 2.671 -10.161 1.00 0.00 H new ATOM 1553 N GLN A 100 6.489 3.674 -13.183 1.00 0.00 N ATOM 1554 CA GLN A 100 7.561 4.344 -13.922 1.00 0.00 C ATOM 1555 C GLN A 100 7.051 4.759 -15.280 1.00 0.00 C ATOM 1556 O GLN A 100 7.100 3.986 -16.251 1.00 0.00 O ATOM 1557 CB GLN A 100 8.791 3.417 -14.054 1.00 0.00 C ATOM 1558 CG GLN A 100 10.121 4.133 -14.485 1.00 0.00 C ATOM 1559 CD GLN A 100 11.478 3.486 -14.192 1.00 0.00 C ATOM 1560 OE1 GLN A 100 11.838 2.479 -14.783 1.00 0.00 O ATOM 1561 NE2 GLN A 100 12.286 4.025 -13.315 1.00 0.00 N ATOM 0 H GLN A 100 6.488 2.658 -13.268 1.00 0.00 H new ATOM 0 HA GLN A 100 7.873 5.234 -13.375 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.957 2.921 -13.098 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.563 2.638 -14.782 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.066 4.294 -15.562 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.125 5.117 -14.015 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.004 4.866 -12.811 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.198 3.604 -13.135 1.00 0.00 H new ATOM 1570 N ALA A 101 6.578 5.985 -15.399 1.00 0.00 N ATOM 1571 CA ALA A 101 5.895 6.428 -16.611 1.00 0.00 C ATOM 1572 C ALA A 101 6.871 6.760 -17.715 1.00 0.00 C ATOM 1573 O ALA A 101 8.057 6.414 -17.665 1.00 0.00 O ATOM 1574 CB ALA A 101 4.995 7.617 -16.225 1.00 0.00 C ATOM 0 H ALA A 101 6.652 6.697 -14.672 1.00 0.00 H new ATOM 0 HA ALA A 101 5.278 5.627 -17.018 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.467 7.976 -17.109 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.272 7.297 -15.475 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.609 8.421 -15.818 1.00 0.00 H new ATOM 1580 N HIS A 102 6.385 7.450 -18.728 1.00 0.00 N ATOM 1581 CA HIS A 102 7.165 7.684 -19.943 1.00 0.00 C ATOM 1582 C HIS A 102 8.098 8.870 -19.835 1.00 0.00 C ATOM 1583 O HIS A 102 9.285 8.724 -19.494 1.00 0.00 O ATOM 1584 CB HIS A 102 6.136 7.926 -21.064 1.00 0.00 C ATOM 1585 CG HIS A 102 6.074 6.778 -22.030 1.00 0.00 C ATOM 1586 ND1 HIS A 102 5.737 6.866 -23.378 1.00 0.00 N ATOM 1587 CD2 HIS A 102 6.358 5.471 -21.662 1.00 0.00 C ATOM 1588 CE1 HIS A 102 5.853 5.572 -23.730 1.00 0.00 C ATOM 1589 NE2 HIS A 102 6.214 4.678 -22.771 1.00 0.00 N ATOM 0 H HIS A 102 5.452 7.862 -18.741 1.00 0.00 H new ATOM 0 HA HIS A 102 7.808 6.825 -20.135 1.00 0.00 H new ATOM 0 HB2 HIS A 102 5.151 8.083 -20.624 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.394 8.838 -21.602 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.643 5.137 -20.675 1.00 0.00 H new ATOM 0 HE1 HIS A 102 5.665 5.253 -24.745 1.00 0.00 H new ATOM 0 HE2 HIS A 102 6.345 3.670 -22.856 1.00 0.00 H new ATOM 1597 N ASP A 103 7.613 10.059 -20.136 1.00 0.00 N ATOM 1598 CA ASP A 103 8.468 11.233 -20.271 1.00 0.00 C ATOM 1599 C ASP A 103 8.611 11.980 -18.963 1.00 0.00 C ATOM 1600 O ASP A 103 9.622 11.932 -18.256 1.00 0.00 O ATOM 1601 CB ASP A 103 7.924 12.162 -21.387 1.00 0.00 C ATOM 1602 CG ASP A 103 8.782 13.387 -21.740 1.00 0.00 C ATOM 1603 OD1 ASP A 103 10.123 13.137 -21.648 1.00 0.00 O ATOM 1604 OD2 ASP A 103 8.306 14.459 -22.085 1.00 0.00 O ATOM 0 H ASP A 103 6.622 10.243 -20.294 1.00 0.00 H new ATOM 0 HA ASP A 103 9.465 10.892 -20.552 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.791 11.567 -22.291 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.936 12.512 -21.087 1.00 0.00 H new ATOM 1609 N ASP A 104 7.565 12.724 -18.630 1.00 0.00 N ATOM 1610 CA ASP A 104 7.556 13.644 -17.498 1.00 0.00 C ATOM 1611 C ASP A 104 6.188 14.276 -17.346 1.00 0.00 C ATOM 1612 O ASP A 104 5.724 14.596 -16.249 1.00 0.00 O ATOM 1613 CB ASP A 104 8.683 14.697 -17.648 1.00 0.00 C ATOM 1614 CG ASP A 104 8.512 16.013 -16.875 1.00 0.00 C ATOM 1615 OD1 ASP A 104 8.893 16.165 -15.724 1.00 0.00 O ATOM 1616 OD2 ASP A 104 7.910 16.990 -17.619 1.00 0.00 O ATOM 0 H ASP A 104 6.685 12.706 -19.146 1.00 0.00 H new ATOM 0 HA ASP A 104 7.758 13.091 -16.581 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.620 14.238 -17.333 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.785 14.936 -18.707 1.00 0.00 H new ATOM 1621 N THR A 105 5.541 14.484 -18.483 1.00 0.00 N ATOM 1622 CA THR A 105 4.141 14.901 -18.502 1.00 0.00 C ATOM 1623 C THR A 105 3.293 13.750 -18.004 1.00 0.00 C ATOM 1624 O THR A 105 2.527 13.868 -17.042 1.00 0.00 O ATOM 1625 CB THR A 105 3.704 15.374 -19.930 1.00 0.00 C ATOM 1626 OG1 THR A 105 4.003 16.752 -20.111 1.00 0.00 O ATOM 1627 CG2 THR A 105 2.200 15.259 -20.257 1.00 0.00 C ATOM 0 H THR A 105 5.960 14.372 -19.406 1.00 0.00 H new ATOM 0 HA THR A 105 4.003 15.759 -17.845 1.00 0.00 H new ATOM 0 HB THR A 105 4.257 14.698 -20.582 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.726 17.032 -21.008 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.020 15.616 -21.271 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.889 14.217 -20.178 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.627 15.863 -19.553 1.00 0.00 H new ATOM 1635 N GLU A 106 3.404 12.624 -18.679 1.00 0.00 N ATOM 1636 CA GLU A 106 2.826 11.366 -18.222 1.00 0.00 C ATOM 1637 C GLU A 106 3.187 11.075 -16.785 1.00 0.00 C ATOM 1638 O GLU A 106 2.352 10.596 -16.007 1.00 0.00 O ATOM 1639 CB GLU A 106 3.347 10.226 -19.142 1.00 0.00 C ATOM 1640 CG GLU A 106 2.372 9.738 -20.268 1.00 0.00 C ATOM 1641 CD GLU A 106 2.812 9.842 -21.727 1.00 0.00 C ATOM 1642 OE1 GLU A 106 2.633 10.847 -22.408 1.00 0.00 O ATOM 1643 OE2 GLU A 106 3.419 8.719 -22.204 1.00 0.00 O ATOM 0 H GLU A 106 3.900 12.550 -19.567 1.00 0.00 H new ATOM 0 HA GLU A 106 1.740 11.437 -18.274 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.271 10.562 -19.612 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.601 9.371 -18.516 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.137 8.692 -20.069 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.443 10.299 -20.164 1.00 0.00 H new ATOM 1650 N MET A 107 4.438 11.322 -16.427 1.00 0.00 N ATOM 1651 CA MET A 107 4.908 10.937 -15.094 1.00 0.00 C ATOM 1652 C MET A 107 3.992 11.539 -14.045 1.00 0.00 C ATOM 1653 O MET A 107 3.399 10.903 -13.165 1.00 0.00 O ATOM 1654 CB MET A 107 6.379 11.380 -14.870 1.00 0.00 C ATOM 1655 CG MET A 107 7.229 10.471 -13.957 1.00 0.00 C ATOM 1656 SD MET A 107 8.937 11.039 -13.948 1.00 0.00 S ATOM 1657 CE MET A 107 8.792 12.312 -12.687 1.00 0.00 C ATOM 0 H MET A 107 5.134 11.775 -17.019 1.00 0.00 H new ATOM 0 HA MET A 107 4.882 9.851 -15.009 1.00 0.00 H new ATOM 0 HB2 MET A 107 6.869 11.446 -15.841 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.374 12.384 -14.446 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.828 10.481 -12.944 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.181 9.440 -14.309 1.00 0.00 H new ATOM 0 HE1 MET A 107 9.765 12.775 -12.524 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.080 13.070 -13.015 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.442 11.864 -11.757 1.00 0.00 H new ATOM 1667 N SER A 108 3.829 12.855 -14.167 1.00 0.00 N ATOM 1668 CA SER A 108 2.995 13.645 -13.266 1.00 0.00 C ATOM 1669 C SER A 108 1.531 13.320 -13.461 1.00 0.00 C ATOM 1670 O SER A 108 0.804 13.064 -12.495 1.00 0.00 O ATOM 1671 CB SER A 108 3.274 15.160 -13.443 1.00 0.00 C ATOM 1672 OG SER A 108 2.610 15.968 -12.466 1.00 0.00 O ATOM 0 H SER A 108 4.276 13.406 -14.900 1.00 0.00 H new ATOM 0 HA SER A 108 3.254 13.382 -12.240 1.00 0.00 H new ATOM 0 HB2 SER A 108 4.348 15.336 -13.383 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.956 15.469 -14.439 1.00 0.00 H new ATOM 0 HG SER A 108 2.822 16.912 -12.623 1.00 0.00 H new ATOM 1678 N GLN A 109 1.061 13.296 -14.695 1.00 0.00 N ATOM 1679 CA GLN A 109 -0.353 13.066 -14.994 1.00 0.00 C ATOM 1680 C GLN A 109 -0.824 11.769 -14.381 1.00 0.00 C ATOM 1681 O GLN A 109 -1.941 11.680 -13.838 1.00 0.00 O ATOM 1682 CB GLN A 109 -0.525 13.078 -16.530 1.00 0.00 C ATOM 1683 CG GLN A 109 -0.979 14.436 -17.160 1.00 0.00 C ATOM 1684 CD GLN A 109 -2.192 14.480 -18.096 1.00 0.00 C ATOM 1685 OE1 GLN A 109 -2.103 14.130 -19.262 1.00 0.00 O ATOM 1686 NE2 GLN A 109 -3.342 14.924 -17.656 1.00 0.00 N ATOM 0 H GLN A 109 1.642 13.434 -15.522 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.969 13.853 -14.559 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.423 12.789 -16.984 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.254 12.314 -16.800 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.179 15.124 -16.338 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.129 14.837 -17.712 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.436 15.221 -16.685 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -4.144 14.973 -18.284 1.00 0.00 H new ATOM 1695 N TRP A 110 -0.024 10.723 -14.464 1.00 0.00 N ATOM 1696 CA TRP A 110 -0.306 9.475 -13.761 1.00 0.00 C ATOM 1697 C TRP A 110 -0.500 9.735 -12.285 1.00 0.00 C ATOM 1698 O TRP A 110 -1.461 9.245 -11.683 1.00 0.00 O ATOM 1699 CB TRP A 110 0.869 8.479 -13.963 1.00 0.00 C ATOM 1700 CG TRP A 110 0.719 7.560 -15.183 1.00 0.00 C ATOM 1701 CD1 TRP A 110 1.411 7.630 -16.408 1.00 0.00 C ATOM 1702 CD2 TRP A 110 -0.099 6.443 -15.279 1.00 0.00 C ATOM 1703 NE1 TRP A 110 1.056 6.573 -17.270 1.00 0.00 N ATOM 1704 CE2 TRP A 110 0.120 5.850 -16.546 1.00 0.00 C ATOM 1705 CE3 TRP A 110 -1.055 5.897 -14.380 1.00 0.00 C ATOM 1706 CZ2 TRP A 110 -0.569 4.670 -16.901 1.00 0.00 C ATOM 1707 CZ3 TRP A 110 -1.689 4.709 -14.738 1.00 0.00 C ATOM 1708 CH2 TRP A 110 -1.479 4.118 -15.993 1.00 0.00 C ATOM 0 H TRP A 110 0.834 10.708 -15.015 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.221 9.045 -14.168 1.00 0.00 H new ATOM 0 HB2 TRP A 110 1.796 9.044 -14.061 1.00 0.00 H new ATOM 0 HB3 TRP A 110 0.965 7.863 -13.069 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.126 8.400 -16.656 1.00 0.00 H new ATOM 0 HE1 TRP A 110 1.406 6.384 -18.209 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -1.283 6.389 -13.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.396 4.201 -17.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.356 4.233 -14.035 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.026 3.226 -16.261 1.00 0.00 H new ATOM 1719 N VAL A 111 0.389 10.504 -11.670 1.00 0.00 N ATOM 1720 CA VAL A 111 0.256 10.803 -10.239 1.00 0.00 C ATOM 1721 C VAL A 111 -1.041 11.529 -9.943 1.00 0.00 C ATOM 1722 O VAL A 111 -1.830 11.134 -9.079 1.00 0.00 O ATOM 1723 CB VAL A 111 1.512 11.629 -9.749 1.00 0.00 C ATOM 1724 CG1 VAL A 111 1.399 13.182 -9.789 1.00 0.00 C ATOM 1725 CG2 VAL A 111 1.946 11.302 -8.299 1.00 0.00 C ATOM 0 H VAL A 111 1.198 10.928 -12.124 1.00 0.00 H new ATOM 0 HA VAL A 111 0.222 9.864 -9.686 1.00 0.00 H new ATOM 0 HB VAL A 111 2.239 11.303 -10.493 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.327 13.624 -9.427 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.217 13.507 -10.813 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.573 13.503 -9.154 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.813 11.907 -8.034 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.126 11.523 -7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.205 10.246 -8.226 1.00 0.00 H new ATOM 1735 N THR A 112 -1.278 12.629 -10.642 1.00 0.00 N ATOM 1736 CA THR A 112 -2.537 13.371 -10.595 1.00 0.00 C ATOM 1737 C THR A 112 -3.704 12.500 -10.992 1.00 0.00 C ATOM 1738 O THR A 112 -4.848 12.738 -10.542 1.00 0.00 O ATOM 1739 CB THR A 112 -2.465 14.644 -11.509 1.00 0.00 C ATOM 1740 OG1 THR A 112 -1.428 14.527 -12.474 1.00 0.00 O ATOM 1741 CG2 THR A 112 -2.160 15.980 -10.794 1.00 0.00 C ATOM 0 H THR A 112 -0.590 13.042 -11.271 1.00 0.00 H new ATOM 0 HA THR A 112 -2.694 13.691 -9.565 1.00 0.00 H new ATOM 0 HB THR A 112 -3.471 14.678 -11.927 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.407 15.333 -13.031 1.00 0.00 H new ATOM 0 HG21 THR A 112 -2.135 16.787 -11.526 1.00 0.00 H new ATOM 0 HG22 THR A 112 -2.936 16.183 -10.056 1.00 0.00 H new ATOM 0 HG23 THR A 112 -1.193 15.913 -10.295 1.00 0.00 H new ATOM 1749 N SER A 113 -3.497 11.480 -11.800 1.00 0.00 N ATOM 1750 CA SER A 113 -4.564 10.546 -12.161 1.00 0.00 C ATOM 1751 C SER A 113 -4.976 9.710 -10.968 1.00 0.00 C ATOM 1752 O SER A 113 -6.137 9.647 -10.549 1.00 0.00 O ATOM 1753 CB SER A 113 -4.137 9.666 -13.361 1.00 0.00 C ATOM 1754 OG SER A 113 -4.570 10.193 -14.619 1.00 0.00 O ATOM 0 H SER A 113 -2.595 11.269 -12.226 1.00 0.00 H new ATOM 0 HA SER A 113 -5.437 11.121 -12.470 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.051 9.570 -13.367 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.545 8.663 -13.233 1.00 0.00 H new ATOM 0 HG SER A 113 -5.165 9.548 -15.056 1.00 0.00 H new ATOM 1760 N LEU A 114 -3.989 9.058 -10.373 1.00 0.00 N ATOM 1761 CA LEU A 114 -4.156 8.279 -9.152 1.00 0.00 C ATOM 1762 C LEU A 114 -4.635 9.150 -8.014 1.00 0.00 C ATOM 1763 O LEU A 114 -5.365 8.715 -7.117 1.00 0.00 O ATOM 1764 CB LEU A 114 -2.822 7.567 -8.777 1.00 0.00 C ATOM 1765 CG LEU A 114 -1.911 7.013 -9.911 1.00 0.00 C ATOM 1766 CD1 LEU A 114 -0.458 7.521 -9.796 1.00 0.00 C ATOM 1767 CD2 LEU A 114 -1.902 5.472 -9.854 1.00 0.00 C ATOM 0 H LEU A 114 -3.033 9.054 -10.729 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.916 7.519 -9.334 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.228 8.270 -8.193 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.069 6.734 -8.118 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.319 7.367 -10.858 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.138 7.107 -10.609 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.447 8.609 -9.856 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.037 7.206 -8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.264 5.082 -10.648 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.518 5.146 -8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.917 5.097 -9.987 1.00 0.00 H new ATOM 1779 N LYS A 115 -4.203 10.400 -8.022 1.00 0.00 N ATOM 1780 CA LYS A 115 -4.645 11.382 -7.035 1.00 0.00 C ATOM 1781 C LYS A 115 -6.152 11.490 -7.025 1.00 0.00 C ATOM 1782 O LYS A 115 -6.809 11.406 -5.983 1.00 0.00 O ATOM 1783 CB LYS A 115 -3.991 12.758 -7.340 1.00 0.00 C ATOM 1784 CG LYS A 115 -4.035 13.752 -6.153 1.00 0.00 C ATOM 1785 CD LYS A 115 -5.369 14.481 -5.970 1.00 0.00 C ATOM 1786 CE LYS A 115 -5.489 14.955 -4.514 1.00 0.00 C ATOM 1787 NZ LYS A 115 -6.157 13.912 -3.716 1.00 0.00 N ATOM 0 H LYS A 115 -3.540 10.765 -8.706 1.00 0.00 H new ATOM 0 HA LYS A 115 -4.331 11.056 -6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.952 12.599 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.495 13.207 -8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -3.805 13.210 -5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.248 14.494 -6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.428 15.332 -6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.197 13.817 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.501 15.165 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.057 15.884 -4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -6.240 14.230 -2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.106 13.733 -4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.598 13.036 -3.752 1.00 0.00 H new ATOM 1801 N ALA A 116 -6.723 11.662 -8.205 1.00 0.00 N ATOM 1802 CA ALA A 116 -8.172 11.641 -8.369 1.00 0.00 C ATOM 1803 C ALA A 116 -8.768 10.400 -7.747 1.00 0.00 C ATOM 1804 O ALA A 116 -9.839 10.435 -7.126 1.00 0.00 O ATOM 1805 CB ALA A 116 -8.475 11.757 -9.873 1.00 0.00 C ATOM 0 H ALA A 116 -6.205 11.819 -9.069 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.633 12.480 -7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.554 11.744 -10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -8.064 12.691 -10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.022 10.918 -10.401 1.00 0.00 H new ATOM 1811 N GLN A 117 -8.075 9.280 -7.881 1.00 0.00 N ATOM 1812 CA GLN A 117 -8.593 8.005 -7.384 1.00 0.00 C ATOM 1813 C GLN A 117 -8.165 7.741 -5.955 1.00 0.00 C ATOM 1814 O GLN A 117 -8.913 8.005 -5.010 1.00 0.00 O ATOM 1815 CB GLN A 117 -8.114 6.861 -8.303 1.00 0.00 C ATOM 1816 CG GLN A 117 -9.087 6.467 -9.462 1.00 0.00 C ATOM 1817 CD GLN A 117 -9.500 7.537 -10.483 1.00 0.00 C ATOM 1818 OE1 GLN A 117 -10.667 7.870 -10.613 1.00 0.00 O ATOM 1819 NE2 GLN A 117 -8.595 8.088 -11.251 1.00 0.00 N ATOM 0 H GLN A 117 -7.159 9.222 -8.326 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.682 8.056 -7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.157 7.147 -8.739 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.934 5.978 -7.689 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.627 5.646 -10.013 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.998 6.076 -9.009 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -7.615 7.822 -11.156 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.870 8.784 -11.944 1.00 0.00 H new ATOM 1828 N SER A 118 -6.974 7.191 -5.808 1.00 0.00 N ATOM 1829 CA SER A 118 -6.425 6.716 -4.543 1.00 0.00 C ATOM 1830 C SER A 118 -6.891 7.585 -3.397 1.00 0.00 C ATOM 1831 O SER A 118 -6.227 8.619 -3.110 1.00 0.00 O ATOM 1832 CB SER A 118 -4.878 6.664 -4.596 1.00 0.00 C ATOM 1833 OG SER A 118 -4.330 5.529 -3.918 1.00 0.00 O ATOM 0 H SER A 118 -6.336 7.056 -6.592 1.00 0.00 H new ATOM 0 HA SER A 118 -6.792 5.703 -4.375 1.00 0.00 H new ATOM 0 HB2 SER A 118 -4.557 6.647 -5.637 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.475 7.574 -4.152 1.00 0.00 H new ATOM 0 HG SER A 118 -3.523 5.797 -3.431 1.00 0.00 H new ATOM 1839 N ASP A 119 -7.961 7.276 -2.693 1.00 0.00 N ATOM 1840 CA ASP A 119 -8.548 8.193 -1.712 1.00 0.00 C ATOM 1841 C ASP A 119 -8.863 7.502 -0.406 1.00 0.00 C ATOM 1842 O ASP A 119 -8.702 6.287 -0.255 1.00 0.00 O ATOM 1843 CB ASP A 119 -9.805 8.868 -2.329 1.00 0.00 C ATOM 1844 CG ASP A 119 -10.789 9.554 -1.369 1.00 0.00 C ATOM 1845 OD1 ASP A 119 -10.608 10.674 -0.915 1.00 0.00 O ATOM 1846 OD2 ASP A 119 -11.885 8.784 -1.094 1.00 0.00 O ATOM 0 H ASP A 119 -8.454 6.387 -2.777 1.00 0.00 H new ATOM 0 HA ASP A 119 -7.816 8.964 -1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -9.467 9.611 -3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -10.354 8.109 -2.887 1.00 0.00 H new ATOM 1851 N SER A 120 -9.292 8.275 0.575 1.00 0.00 N ATOM 1852 CA SER A 120 -9.775 7.735 1.844 1.00 0.00 C ATOM 1853 C SER A 120 -11.289 7.709 1.871 1.00 0.00 C ATOM 1854 O SER A 120 -11.904 6.945 1.089 1.00 0.00 O ATOM 1855 CB SER A 120 -9.166 8.520 3.035 1.00 0.00 C ATOM 1856 OG SER A 120 -9.288 9.939 2.888 1.00 0.00 O ATOM 0 H SER A 120 -9.318 9.293 0.520 1.00 0.00 H new ATOM 0 HA SER A 120 -9.442 6.702 1.944 1.00 0.00 H new ATOM 0 HB2 SER A 120 -9.659 8.212 3.957 1.00 0.00 H new ATOM 0 HB3 SER A 120 -8.112 8.259 3.135 1.00 0.00 H new ATOM 0 HG SER A 120 -8.890 10.384 3.665 1.00 0.00 H new ATOM 1862 N THR A 121 -11.951 8.469 2.722 1.00 0.00 N ATOM 1863 CA THR A 121 -13.416 8.460 2.798 1.00 0.00 C ATOM 1864 C THR A 121 -13.932 9.650 3.573 1.00 0.00 C ATOM 1865 O THR A 121 -13.352 10.071 4.583 1.00 0.00 O ATOM 1866 CB THR A 121 -13.927 7.125 3.437 1.00 0.00 C ATOM 1867 OG1 THR A 121 -13.008 6.657 4.415 1.00 0.00 O ATOM 1868 CG2 THR A 121 -14.111 5.931 2.476 1.00 0.00 C ATOM 0 H THR A 121 -11.502 9.108 3.378 1.00 0.00 H new ATOM 0 HA THR A 121 -13.803 8.529 1.781 1.00 0.00 H new ATOM 0 HB THR A 121 -14.903 7.411 3.829 1.00 0.00 H new ATOM 0 HG1 THR A 121 -13.343 5.823 4.806 1.00 0.00 H new ATOM 0 HG21 THR A 121 -14.468 5.066 3.035 1.00 0.00 H new ATOM 0 HG22 THR A 121 -14.838 6.192 1.707 1.00 0.00 H new ATOM 0 HG23 THR A 121 -13.157 5.691 2.007 1.00 0.00 H new ATOM 1876 N ALA A 122 -15.044 10.206 3.128 1.00 0.00 N ATOM 1877 CA ALA A 122 -15.664 11.339 3.809 1.00 0.00 C ATOM 1878 C ALA A 122 -16.156 10.942 5.180 1.00 0.00 C ATOM 1879 O ALA A 122 -16.138 11.747 6.163 1.00 0.00 O ATOM 1880 CB ALA A 122 -16.788 11.872 2.904 1.00 0.00 C ATOM 1881 OXT ALA A 122 -16.589 9.753 5.293 1.00 0.00 O ATOM 0 H ALA A 122 -15.542 9.893 2.295 1.00 0.00 H new ATOM 0 HA ALA A 122 -14.938 12.134 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -17.272 12.721 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -16.367 12.188 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -17.522 11.085 2.734 1.00 0.00 H new TER 1887 ALA A 122