USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 895 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 104 THR OG1 : rot 180:sc= 0.0158 USER MOD Set 1.2: A 105 ASN : amide:sc= -5.3! C(o=-5.3!,f=-2.8!) USER MOD Set 2.1: A 71 ASN : amide:sc= -1.49 K(o=-1.2,f=1.3) USER MOD Set 2.2: A 74 THR OG1 : rot 146:sc= 0.284 USER MOD Single : A 1 GLU N :NH3+ 157:sc= -1.05 (180deg=-2.83!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 9 THR OG1 : rot 173:sc= -0.0953 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HE2:sc=-0.00433 K(o=-0.0043,f=-3.9!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.76! C(o=-1.8!,f=-2.6!) USER MOD Single : A 18 ASN : amide:sc= -1.7 X(o=-1.7,f=-1.8) USER MOD Single : A 19 ASN : amide:sc= -1.8 K(o=-1.8,f=-5.7!) USER MOD Single : A 28 SER OG : rot 34:sc= 0.476 USER MOD Single : A 30 TYR OH : rot 180:sc=-0.000663 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -113:sc= 0.666 (180deg=-0.433) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0222 USER MOD Single : A 45 LYS NZ :NH3+ -150:sc= -0.114 (180deg=-0.738) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 60 GLN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -157:sc= -0.0686 (180deg=-0.827) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.255 K(o=0.25,f=-10!) USER MOD Single : A 88 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.52) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0631! USER MOD Single : A 100 THR OG1 : rot 66:sc= 0.99 USER MOD Single : A 101 LYS NZ :NH3+ -152:sc= 1.56 (180deg=-1.45!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-4.2!) USER MOD Single : A 115 ASN : amide:sc= -0.387 K(o=-0.39,f=-3.8!) USER MOD Single : A 117 ASN : amide:sc= -3.29 K(o=-3.3,f=-9.6!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -2.87 X(o=-2.9,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.225 14.893 0.392 1.00 0.00 N ATOM 2 CA GLU A 1 3.131 14.585 -1.069 1.00 0.00 C ATOM 3 C GLU A 1 4.391 13.915 -1.681 1.00 0.00 C ATOM 4 O GLU A 1 4.225 13.028 -2.501 1.00 0.00 O ATOM 5 CB GLU A 1 2.848 15.881 -1.805 1.00 0.00 C ATOM 6 CG GLU A 1 3.941 16.954 -1.473 1.00 0.00 C ATOM 7 CD GLU A 1 3.660 18.189 -2.312 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.550 18.666 -2.171 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.572 18.566 -3.025 1.00 0.00 O ATOM 0 H1 GLU A 1 2.556 15.653 0.630 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.992 14.042 0.942 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.192 15.199 0.621 1.00 0.00 H new ATOM 0 HA GLU A 1 2.331 13.854 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.825 15.698 -2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.864 16.257 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.921 17.202 -0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.935 16.564 -1.690 1.00 0.00 H new ATOM 18 N GLN A 2 5.556 14.370 -1.264 1.00 0.00 N ATOM 19 CA GLN A 2 6.876 13.836 -1.746 1.00 0.00 C ATOM 20 C GLN A 2 7.652 13.067 -0.650 1.00 0.00 C ATOM 21 O GLN A 2 7.837 13.560 0.449 1.00 0.00 O ATOM 22 CB GLN A 2 7.756 15.029 -2.211 1.00 0.00 C ATOM 23 CG GLN A 2 9.150 14.565 -2.784 1.00 0.00 C ATOM 24 CD GLN A 2 10.228 15.649 -2.609 1.00 0.00 C ATOM 25 OE1 GLN A 2 10.118 16.784 -3.013 1.00 0.00 O ATOM 26 NE2 GLN A 2 11.328 15.365 -1.999 1.00 0.00 N ATOM 0 H GLN A 2 5.646 15.122 -0.580 1.00 0.00 H new ATOM 0 HA GLN A 2 6.665 13.140 -2.557 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.222 15.593 -2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.919 15.705 -1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.466 13.653 -2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.046 14.323 -3.842 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.481 14.425 -1.635 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.045 16.081 -1.881 1.00 0.00 H new ATOM 35 N ALA A 3 8.061 11.871 -0.991 1.00 0.00 N ATOM 36 CA ALA A 3 8.842 11.021 -0.043 1.00 0.00 C ATOM 37 C ALA A 3 9.939 10.275 -0.862 1.00 0.00 C ATOM 38 O ALA A 3 9.644 9.759 -1.927 1.00 0.00 O ATOM 39 CB ALA A 3 7.865 10.052 0.614 1.00 0.00 C ATOM 0 H ALA A 3 7.884 11.442 -1.899 1.00 0.00 H new ATOM 0 HA ALA A 3 9.334 11.603 0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.402 9.413 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.099 10.614 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.394 9.435 -0.151 1.00 0.00 H new ATOM 45 N ASN A 4 11.143 10.242 -0.351 1.00 0.00 N ATOM 46 CA ASN A 4 12.286 9.555 -1.046 1.00 0.00 C ATOM 47 C ASN A 4 12.972 8.559 -0.111 1.00 0.00 C ATOM 48 O ASN A 4 12.717 8.570 1.073 1.00 0.00 O ATOM 49 CB ASN A 4 13.284 10.651 -1.539 1.00 0.00 C ATOM 50 CG ASN A 4 13.742 11.594 -0.427 1.00 0.00 C ATOM 51 OD1 ASN A 4 14.806 11.501 0.138 1.00 0.00 O ATOM 52 ND2 ASN A 4 12.986 12.560 -0.031 1.00 0.00 N ATOM 0 H ASN A 4 11.392 10.671 0.540 1.00 0.00 H new ATOM 0 HA ASN A 4 11.918 8.985 -1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.156 10.167 -1.978 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.811 11.234 -2.329 1.00 0.00 H new ATOM 0 HD21 ASN A 4 13.302 13.183 0.713 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.072 12.702 -0.461 1.00 0.00 H new ATOM 59 N ASP A 5 13.823 7.754 -0.676 1.00 0.00 N ATOM 60 CA ASP A 5 14.607 6.699 0.029 1.00 0.00 C ATOM 61 C ASP A 5 13.906 6.092 1.266 1.00 0.00 C ATOM 62 O ASP A 5 14.375 6.116 2.390 1.00 0.00 O ATOM 63 CB ASP A 5 15.952 7.431 0.324 1.00 0.00 C ATOM 64 CG ASP A 5 16.596 7.971 -0.966 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.114 7.638 -2.040 1.00 0.00 O ATOM 66 OD2 ASP A 5 17.555 8.696 -0.786 1.00 0.00 O ATOM 0 H ASP A 5 14.021 7.789 -1.676 1.00 0.00 H new ATOM 0 HA ASP A 5 14.741 5.796 -0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.775 8.255 1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.641 6.744 0.816 1.00 0.00 H new ATOM 71 N VAL A 6 12.759 5.530 0.981 1.00 0.00 N ATOM 72 CA VAL A 6 11.955 4.896 2.072 1.00 0.00 C ATOM 73 C VAL A 6 12.067 3.366 1.968 1.00 0.00 C ATOM 74 O VAL A 6 12.205 2.798 0.895 1.00 0.00 O ATOM 75 CB VAL A 6 10.446 5.336 1.948 1.00 0.00 C ATOM 76 CG1 VAL A 6 9.618 4.801 3.137 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.309 6.871 1.980 1.00 0.00 C ATOM 0 H VAL A 6 12.346 5.482 0.049 1.00 0.00 H new ATOM 0 HA VAL A 6 12.338 5.219 3.040 1.00 0.00 H new ATOM 0 HB VAL A 6 10.085 4.933 1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.580 5.117 3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.666 3.712 3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.023 5.195 4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.257 7.144 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.706 7.252 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.867 7.303 1.149 1.00 0.00 H new ATOM 87 N ARG A 7 11.996 2.737 3.110 1.00 0.00 N ATOM 88 CA ARG A 7 12.090 1.247 3.141 1.00 0.00 C ATOM 89 C ARG A 7 10.677 0.741 2.805 1.00 0.00 C ATOM 90 O ARG A 7 9.778 0.680 3.624 1.00 0.00 O ATOM 91 CB ARG A 7 12.555 0.806 4.565 1.00 0.00 C ATOM 92 CG ARG A 7 13.901 1.498 4.977 1.00 0.00 C ATOM 93 CD ARG A 7 14.992 1.246 3.921 1.00 0.00 C ATOM 94 NE ARG A 7 16.310 1.583 4.593 1.00 0.00 N ATOM 95 CZ ARG A 7 17.165 0.706 5.000 1.00 0.00 C ATOM 96 NH1 ARG A 7 17.011 -0.521 4.694 1.00 0.00 N ATOM 97 NH2 ARG A 7 18.156 1.088 5.711 1.00 0.00 N ATOM 0 H ARG A 7 11.878 3.186 4.018 1.00 0.00 H new ATOM 0 HA ARG A 7 12.811 0.840 2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.782 1.052 5.293 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.681 -0.276 4.588 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.743 2.570 5.094 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.230 1.117 5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.979 0.209 3.586 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.833 1.868 3.040 1.00 0.00 H new ATOM 0 HE ARG A 7 16.535 2.568 4.732 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.213 -0.809 4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.686 -1.215 5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 7 18.263 2.074 5.949 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.840 0.407 6.040 1.00 0.00 H new ATOM 111 N ALA A 8 10.544 0.391 1.555 1.00 0.00 N ATOM 112 CA ALA A 8 9.238 -0.111 1.070 1.00 0.00 C ATOM 113 C ALA A 8 9.288 -1.625 1.218 1.00 0.00 C ATOM 114 O ALA A 8 10.225 -2.280 0.787 1.00 0.00 O ATOM 115 CB ALA A 8 9.054 0.289 -0.408 1.00 0.00 C ATOM 0 H ALA A 8 11.284 0.433 0.854 1.00 0.00 H new ATOM 0 HA ALA A 8 8.402 0.306 1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.093 -0.079 -0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.083 1.375 -0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.856 -0.146 -1.005 1.00 0.00 H new ATOM 121 N THR A 9 8.265 -2.117 1.844 1.00 0.00 N ATOM 122 CA THR A 9 8.114 -3.573 2.093 1.00 0.00 C ATOM 123 C THR A 9 7.120 -4.051 1.050 1.00 0.00 C ATOM 124 O THR A 9 6.420 -3.270 0.430 1.00 0.00 O ATOM 125 CB THR A 9 7.530 -3.828 3.511 1.00 0.00 C ATOM 126 OG1 THR A 9 6.516 -2.845 3.625 1.00 0.00 O ATOM 127 CG2 THR A 9 8.462 -3.406 4.628 1.00 0.00 C ATOM 0 H THR A 9 7.499 -1.550 2.207 1.00 0.00 H new ATOM 0 HA THR A 9 9.072 -4.090 2.034 1.00 0.00 H new ATOM 0 HB THR A 9 7.274 -4.884 3.599 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.004 -2.997 4.446 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.993 -3.612 5.590 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.396 -3.963 4.553 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.669 -2.339 4.546 1.00 0.00 H new ATOM 135 N TYR A 10 7.101 -5.340 0.887 1.00 0.00 N ATOM 136 CA TYR A 10 6.157 -5.926 -0.104 1.00 0.00 C ATOM 137 C TYR A 10 5.216 -6.991 0.534 1.00 0.00 C ATOM 138 O TYR A 10 5.548 -8.134 0.779 1.00 0.00 O ATOM 139 CB TYR A 10 7.013 -6.500 -1.258 1.00 0.00 C ATOM 140 CG TYR A 10 7.753 -7.796 -0.928 1.00 0.00 C ATOM 141 CD1 TYR A 10 8.152 -8.173 0.340 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.015 -8.634 -1.978 1.00 0.00 C ATOM 143 CE1 TYR A 10 8.792 -9.365 0.541 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.656 -9.828 -1.777 1.00 0.00 C ATOM 145 CZ TYR A 10 9.045 -10.194 -0.515 1.00 0.00 C ATOM 146 OH TYR A 10 9.681 -11.389 -0.306 1.00 0.00 O ATOM 0 H TYR A 10 7.688 -6.007 1.388 1.00 0.00 H new ATOM 0 HA TYR A 10 5.481 -5.160 -0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.366 -6.677 -2.117 1.00 0.00 H new ATOM 0 HB3 TYR A 10 7.743 -5.748 -1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.957 -7.521 1.179 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.713 -8.351 -2.976 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.098 -9.651 1.536 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.855 -10.481 -2.614 1.00 0.00 H new ATOM 0 HH TYR A 10 9.783 -11.859 -1.160 1.00 0.00 H new ATOM 156 N HIS A 11 4.022 -6.572 0.801 1.00 0.00 N ATOM 157 CA HIS A 11 3.010 -7.488 1.416 1.00 0.00 C ATOM 158 C HIS A 11 1.898 -7.753 0.384 1.00 0.00 C ATOM 159 O HIS A 11 1.802 -7.100 -0.632 1.00 0.00 O ATOM 160 CB HIS A 11 2.443 -6.800 2.667 1.00 0.00 C ATOM 161 CG HIS A 11 1.369 -5.800 2.239 1.00 0.00 C ATOM 162 ND1 HIS A 11 1.522 -4.846 1.379 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.056 -5.691 2.647 1.00 0.00 C ATOM 164 CE1 HIS A 11 0.409 -4.194 1.259 1.00 0.00 C ATOM 165 NE2 HIS A 11 -0.528 -4.686 2.029 1.00 0.00 N ATOM 0 H HIS A 11 3.690 -5.625 0.621 1.00 0.00 H new ATOM 0 HA HIS A 11 3.456 -8.441 1.702 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.019 -7.541 3.345 1.00 0.00 H new ATOM 0 HB3 HIS A 11 3.239 -6.289 3.210 1.00 0.00 H new ATOM 0 HD1 HIS A 11 2.384 -4.639 0.874 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.423 -6.336 3.368 1.00 0.00 H new ATOM 0 HE1 HIS A 11 0.271 -3.347 0.603 1.00 0.00 H new ATOM 173 N TYR A 12 1.069 -8.713 0.656 1.00 0.00 N ATOM 174 CA TYR A 12 -0.030 -9.013 -0.312 1.00 0.00 C ATOM 175 C TYR A 12 -1.372 -9.215 0.388 1.00 0.00 C ATOM 176 O TYR A 12 -1.459 -9.616 1.533 1.00 0.00 O ATOM 177 CB TYR A 12 0.361 -10.298 -1.139 1.00 0.00 C ATOM 178 CG TYR A 12 1.649 -10.904 -0.566 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.876 -10.456 -1.017 1.00 0.00 C ATOM 180 CD2 TYR A 12 1.597 -11.865 0.420 1.00 0.00 C ATOM 181 CE1 TYR A 12 4.041 -10.963 -0.480 1.00 0.00 C ATOM 182 CE2 TYR A 12 2.767 -12.371 0.956 1.00 0.00 C ATOM 183 CZ TYR A 12 3.990 -11.919 0.507 1.00 0.00 C ATOM 184 OH TYR A 12 5.156 -12.404 1.053 1.00 0.00 O ATOM 0 H TYR A 12 1.097 -9.299 1.491 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.149 -8.158 -0.978 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.447 -11.029 -1.099 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.504 -10.039 -2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.923 -9.706 -1.793 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.642 -12.223 0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.997 -10.608 -0.836 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.723 -13.123 1.730 1.00 0.00 H new ATOM 0 HH TYR A 12 4.943 -13.072 1.738 1.00 0.00 H new ATOM 194 N TYR A 13 -2.389 -8.916 -0.364 1.00 0.00 N ATOM 195 CA TYR A 13 -3.796 -9.055 0.128 1.00 0.00 C ATOM 196 C TYR A 13 -4.439 -10.097 -0.841 1.00 0.00 C ATOM 197 O TYR A 13 -3.735 -10.871 -1.464 1.00 0.00 O ATOM 198 CB TYR A 13 -4.511 -7.638 0.074 1.00 0.00 C ATOM 199 CG TYR A 13 -5.024 -7.222 1.488 1.00 0.00 C ATOM 200 CD1 TYR A 13 -4.127 -7.142 2.547 1.00 0.00 C ATOM 201 CD2 TYR A 13 -6.361 -6.915 1.747 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.551 -6.769 3.815 1.00 0.00 C ATOM 203 CE2 TYR A 13 -6.767 -6.544 3.019 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.870 -6.470 4.056 1.00 0.00 C ATOM 205 OH TYR A 13 -6.284 -6.109 5.323 1.00 0.00 O ATOM 0 H TYR A 13 -2.309 -8.573 -1.321 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.878 -9.389 1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.814 -6.888 -0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.347 -7.674 -0.625 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.085 -7.373 2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.086 -6.967 0.948 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.835 -6.713 4.622 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.806 -6.309 3.198 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.248 -5.931 5.314 1.00 0.00 H new ATOM 215 N ARG A 14 -5.744 -10.133 -0.951 1.00 0.00 N ATOM 216 CA ARG A 14 -6.404 -11.128 -1.879 1.00 0.00 C ATOM 217 C ARG A 14 -7.231 -10.506 -3.050 1.00 0.00 C ATOM 218 O ARG A 14 -8.428 -10.724 -3.162 1.00 0.00 O ATOM 219 CB ARG A 14 -7.285 -12.028 -0.987 1.00 0.00 C ATOM 220 CG ARG A 14 -6.402 -12.847 -0.006 1.00 0.00 C ATOM 221 CD ARG A 14 -7.313 -13.515 1.020 1.00 0.00 C ATOM 222 NE ARG A 14 -8.322 -14.371 0.292 1.00 0.00 N ATOM 223 CZ ARG A 14 -9.020 -15.220 0.942 1.00 0.00 C ATOM 224 NH1 ARG A 14 -10.101 -14.796 1.479 1.00 0.00 N ATOM 225 NH2 ARG A 14 -8.580 -16.415 0.999 1.00 0.00 N ATOM 0 H ARG A 14 -6.386 -9.523 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.624 -11.684 -2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.991 -11.416 -0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.872 -12.704 -1.609 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.828 -13.598 -0.549 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.684 -12.195 0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.725 -14.125 1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.822 -12.761 1.621 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.445 -14.271 -0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.371 -13.818 1.378 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.693 -15.436 2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.704 -16.659 0.536 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.104 -17.128 1.507 1.00 0.00 H new ATOM 239 N PRO A 15 -6.569 -9.749 -3.913 1.00 0.00 N ATOM 240 CA PRO A 15 -7.276 -9.011 -5.015 1.00 0.00 C ATOM 241 C PRO A 15 -8.008 -10.023 -5.938 1.00 0.00 C ATOM 242 O PRO A 15 -9.224 -10.030 -6.045 1.00 0.00 O ATOM 243 CB PRO A 15 -6.120 -8.163 -5.694 1.00 0.00 C ATOM 244 CG PRO A 15 -4.851 -9.018 -5.398 1.00 0.00 C ATOM 245 CD PRO A 15 -5.080 -9.535 -3.952 1.00 0.00 C ATOM 0 HA PRO A 15 -8.076 -8.342 -4.697 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.284 -8.038 -6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.045 -7.164 -5.265 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.749 -9.841 -6.105 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.941 -8.422 -5.470 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.533 -10.458 -3.760 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.755 -8.810 -3.206 1.00 0.00 H new ATOM 253 N ALA A 16 -7.262 -10.889 -6.570 1.00 0.00 N ATOM 254 CA ALA A 16 -7.834 -11.925 -7.498 1.00 0.00 C ATOM 255 C ALA A 16 -8.818 -12.940 -6.845 1.00 0.00 C ATOM 256 O ALA A 16 -9.183 -13.922 -7.465 1.00 0.00 O ATOM 257 CB ALA A 16 -6.618 -12.644 -8.132 1.00 0.00 C ATOM 0 H ALA A 16 -6.246 -10.927 -6.482 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.461 -11.423 -8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.968 -13.413 -8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.010 -11.920 -8.675 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.018 -13.105 -7.347 1.00 0.00 H new ATOM 263 N GLN A 17 -9.226 -12.691 -5.626 1.00 0.00 N ATOM 264 CA GLN A 17 -10.169 -13.638 -4.976 1.00 0.00 C ATOM 265 C GLN A 17 -11.639 -13.218 -5.276 1.00 0.00 C ATOM 266 O GLN A 17 -12.313 -13.921 -5.991 1.00 0.00 O ATOM 267 CB GLN A 17 -9.833 -13.638 -3.464 1.00 0.00 C ATOM 268 CG GLN A 17 -10.375 -14.976 -2.841 1.00 0.00 C ATOM 269 CD GLN A 17 -11.866 -15.120 -3.121 1.00 0.00 C ATOM 270 OE1 GLN A 17 -12.672 -14.397 -2.583 1.00 0.00 O ATOM 271 NE2 GLN A 17 -12.276 -16.019 -3.959 1.00 0.00 N ATOM 0 H GLN A 17 -8.950 -11.886 -5.064 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.066 -14.652 -5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.756 -13.557 -3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.289 -12.778 -2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.835 -15.825 -3.259 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.197 -14.983 -1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.603 -16.633 -4.418 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.272 -16.112 -4.160 1.00 0.00 H new ATOM 280 N ASN A 18 -12.146 -12.114 -4.793 1.00 0.00 N ATOM 281 CA ASN A 18 -13.579 -11.750 -5.101 1.00 0.00 C ATOM 282 C ASN A 18 -13.671 -10.715 -6.251 1.00 0.00 C ATOM 283 O ASN A 18 -14.267 -9.665 -6.118 1.00 0.00 O ATOM 284 CB ASN A 18 -14.179 -11.212 -3.782 1.00 0.00 C ATOM 285 CG ASN A 18 -15.689 -10.995 -3.905 1.00 0.00 C ATOM 286 OD1 ASN A 18 -16.363 -11.645 -4.676 1.00 0.00 O ATOM 287 ND2 ASN A 18 -16.314 -10.117 -3.186 1.00 0.00 N ATOM 0 H ASN A 18 -11.644 -11.449 -4.204 1.00 0.00 H new ATOM 0 HA ASN A 18 -14.139 -12.616 -5.453 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -13.975 -11.915 -2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.695 -10.272 -3.517 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -17.322 -10.001 -3.285 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -15.798 -9.542 -2.521 1.00 0.00 H new ATOM 294 N ASN A 19 -13.072 -11.047 -7.371 1.00 0.00 N ATOM 295 CA ASN A 19 -13.099 -10.104 -8.552 1.00 0.00 C ATOM 296 C ASN A 19 -12.605 -8.724 -8.026 1.00 0.00 C ATOM 297 O ASN A 19 -13.245 -7.704 -8.120 1.00 0.00 O ATOM 298 CB ASN A 19 -14.573 -10.087 -9.065 1.00 0.00 C ATOM 299 CG ASN A 19 -14.742 -9.071 -10.174 1.00 0.00 C ATOM 300 OD1 ASN A 19 -14.277 -9.220 -11.288 1.00 0.00 O ATOM 301 ND2 ASN A 19 -15.411 -8.007 -9.895 1.00 0.00 N ATOM 0 H ASN A 19 -12.568 -11.920 -7.525 1.00 0.00 H new ATOM 0 HA ASN A 19 -12.457 -10.392 -9.385 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.849 -11.077 -9.427 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -15.247 -9.850 -8.242 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -15.550 -7.291 -10.608 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -15.802 -7.880 -8.961 1.00 0.00 H new ATOM 308 N TRP A 20 -11.436 -8.797 -7.464 1.00 0.00 N ATOM 309 CA TRP A 20 -10.736 -7.634 -6.867 1.00 0.00 C ATOM 310 C TRP A 20 -11.526 -7.006 -5.748 1.00 0.00 C ATOM 311 O TRP A 20 -11.174 -5.957 -5.278 1.00 0.00 O ATOM 312 CB TRP A 20 -10.331 -6.623 -8.034 1.00 0.00 C ATOM 313 CG TRP A 20 -8.946 -7.185 -8.534 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.699 -8.517 -8.601 1.00 0.00 C ATOM 315 CD2 TRP A 20 -7.818 -6.542 -8.948 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.456 -8.624 -9.056 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.857 -7.484 -9.282 1.00 0.00 C ATOM 318 CE3 TRP A 20 -7.450 -5.224 -9.061 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.592 -7.166 -9.711 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -6.182 -4.903 -9.486 1.00 0.00 C ATOM 321 CH2 TRP A 20 -5.254 -5.856 -9.813 1.00 0.00 C ATOM 0 H TRP A 20 -10.910 -9.668 -7.392 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.817 -7.963 -6.383 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -11.073 -6.612 -8.833 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -10.242 -5.600 -7.668 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.371 -9.321 -8.340 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -7.004 -9.524 -9.216 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -8.154 -4.442 -8.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -4.882 -7.941 -9.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -5.908 -3.861 -9.565 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -4.268 -5.569 -10.147 1.00 0.00 H new ATOM 332 N ASP A 21 -12.612 -7.579 -5.308 1.00 0.00 N ATOM 333 CA ASP A 21 -13.325 -6.950 -4.149 1.00 0.00 C ATOM 334 C ASP A 21 -12.480 -7.797 -3.148 1.00 0.00 C ATOM 335 O ASP A 21 -12.949 -8.652 -2.427 1.00 0.00 O ATOM 336 CB ASP A 21 -14.805 -7.355 -4.107 1.00 0.00 C ATOM 337 CG ASP A 21 -15.526 -6.560 -3.034 1.00 0.00 C ATOM 338 OD1 ASP A 21 -14.980 -5.559 -2.590 1.00 0.00 O ATOM 339 OD2 ASP A 21 -16.610 -7.000 -2.706 1.00 0.00 O ATOM 0 H ASP A 21 -13.031 -8.430 -5.684 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.372 -5.865 -4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.268 -7.176 -5.078 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.894 -8.422 -3.903 1.00 0.00 H new ATOM 344 N LEU A 22 -11.218 -7.472 -3.136 1.00 0.00 N ATOM 345 CA LEU A 22 -10.119 -8.085 -2.343 1.00 0.00 C ATOM 346 C LEU A 22 -10.516 -9.075 -1.247 1.00 0.00 C ATOM 347 O LEU A 22 -10.349 -8.940 -0.053 1.00 0.00 O ATOM 348 CB LEU A 22 -9.319 -6.885 -1.831 1.00 0.00 C ATOM 349 CG LEU A 22 -9.048 -5.884 -3.012 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.043 -4.713 -2.868 1.00 0.00 C ATOM 351 CD2 LEU A 22 -7.648 -5.299 -2.840 1.00 0.00 C ATOM 0 H LEU A 22 -10.873 -6.710 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.538 -8.756 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.869 -6.383 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.375 -7.221 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.148 -6.390 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.882 -3.997 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.063 -5.094 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.888 -4.220 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.443 -4.601 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.588 -4.774 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.913 -6.103 -2.859 1.00 0.00 H new ATOM 363 N GLY A 23 -11.043 -10.109 -1.849 1.00 0.00 N ATOM 364 CA GLY A 23 -11.586 -11.344 -1.172 1.00 0.00 C ATOM 365 C GLY A 23 -12.275 -11.017 0.141 1.00 0.00 C ATOM 366 O GLY A 23 -12.087 -11.706 1.123 1.00 0.00 O ATOM 0 H GLY A 23 -11.127 -10.154 -2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.291 -11.842 -1.837 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.772 -12.045 -0.989 1.00 0.00 H new ATOM 370 N ALA A 24 -13.028 -9.967 0.020 1.00 0.00 N ATOM 371 CA ALA A 24 -13.838 -9.361 1.082 1.00 0.00 C ATOM 372 C ALA A 24 -15.309 -9.812 1.319 1.00 0.00 C ATOM 373 O ALA A 24 -16.080 -9.882 0.387 1.00 0.00 O ATOM 374 CB ALA A 24 -13.850 -7.883 0.808 1.00 0.00 C ATOM 0 H ALA A 24 -13.112 -9.467 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 24 -13.352 -9.701 1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.441 -7.376 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.829 -7.501 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.288 -7.698 -0.173 1.00 0.00 H new ATOM 380 N PRO A 25 -15.634 -10.127 2.552 1.00 0.00 N ATOM 381 CA PRO A 25 -17.042 -10.149 3.015 1.00 0.00 C ATOM 382 C PRO A 25 -17.263 -8.662 3.494 1.00 0.00 C ATOM 383 O PRO A 25 -17.497 -7.772 2.705 1.00 0.00 O ATOM 384 CB PRO A 25 -17.052 -11.196 4.153 1.00 0.00 C ATOM 385 CG PRO A 25 -15.569 -11.697 4.234 1.00 0.00 C ATOM 386 CD PRO A 25 -14.713 -10.573 3.610 1.00 0.00 C ATOM 0 HA PRO A 25 -17.824 -10.422 2.307 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -17.375 -10.755 5.096 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -17.737 -12.015 3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -15.275 -11.885 5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.442 -12.633 3.691 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.477 -9.782 4.322 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.765 -10.938 3.214 1.00 0.00 H new ATOM 394 N ALA A 26 -17.163 -8.400 4.773 1.00 0.00 N ATOM 395 CA ALA A 26 -17.350 -7.010 5.311 1.00 0.00 C ATOM 396 C ALA A 26 -16.028 -6.194 5.371 1.00 0.00 C ATOM 397 O ALA A 26 -15.730 -5.568 6.368 1.00 0.00 O ATOM 398 CB ALA A 26 -17.989 -7.157 6.715 1.00 0.00 C ATOM 0 H ALA A 26 -16.956 -9.102 5.483 1.00 0.00 H new ATOM 0 HA ALA A 26 -17.994 -6.443 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -18.145 -6.169 7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -18.947 -7.670 6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -17.325 -7.735 7.358 1.00 0.00 H new ATOM 404 N VAL A 27 -15.264 -6.216 4.313 1.00 0.00 N ATOM 405 CA VAL A 27 -13.967 -5.446 4.294 1.00 0.00 C ATOM 406 C VAL A 27 -14.153 -4.278 3.348 1.00 0.00 C ATOM 407 O VAL A 27 -14.128 -3.126 3.720 1.00 0.00 O ATOM 408 CB VAL A 27 -12.797 -6.275 3.729 1.00 0.00 C ATOM 409 CG1 VAL A 27 -11.453 -5.550 3.952 1.00 0.00 C ATOM 410 CG2 VAL A 27 -12.724 -7.613 4.436 1.00 0.00 C ATOM 0 H VAL A 27 -15.473 -6.730 3.457 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.733 -5.156 5.318 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.972 -6.411 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.642 -6.154 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.473 -4.583 3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.293 -5.400 5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.895 -8.193 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.568 -7.453 5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.656 -8.157 4.283 1.00 0.00 H new ATOM 420 N SER A 28 -14.344 -4.660 2.115 1.00 0.00 N ATOM 421 CA SER A 28 -14.545 -3.701 0.985 1.00 0.00 C ATOM 422 C SER A 28 -13.794 -2.357 1.208 1.00 0.00 C ATOM 423 O SER A 28 -14.396 -1.351 1.541 1.00 0.00 O ATOM 424 CB SER A 28 -16.056 -3.440 0.820 1.00 0.00 C ATOM 425 OG SER A 28 -16.442 -2.948 2.106 1.00 0.00 O ATOM 0 H SER A 28 -14.370 -5.639 1.831 1.00 0.00 H new ATOM 0 HA SER A 28 -14.131 -4.148 0.081 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.256 -2.712 0.033 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.596 -4.350 0.558 1.00 0.00 H new ATOM 0 HG SER A 28 -15.708 -2.424 2.490 1.00 0.00 H new ATOM 431 N ALA A 29 -12.502 -2.408 1.033 1.00 0.00 N ATOM 432 CA ALA A 29 -11.612 -1.210 1.216 1.00 0.00 C ATOM 433 C ALA A 29 -12.071 0.071 0.477 1.00 0.00 C ATOM 434 O ALA A 29 -12.898 -0.009 -0.409 1.00 0.00 O ATOM 435 CB ALA A 29 -10.215 -1.645 0.763 1.00 0.00 C ATOM 0 H ALA A 29 -12.004 -3.256 0.762 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.640 -0.913 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.521 -0.812 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.878 -2.482 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.251 -1.952 -0.282 1.00 0.00 H new ATOM 441 N TYR A 30 -11.491 1.198 0.851 1.00 0.00 N ATOM 442 CA TYR A 30 -11.863 2.524 0.210 1.00 0.00 C ATOM 443 C TYR A 30 -12.405 2.447 -1.220 1.00 0.00 C ATOM 444 O TYR A 30 -13.535 2.808 -1.466 1.00 0.00 O ATOM 445 CB TYR A 30 -10.628 3.469 0.216 1.00 0.00 C ATOM 446 CG TYR A 30 -10.923 4.763 1.012 1.00 0.00 C ATOM 447 CD1 TYR A 30 -11.919 5.601 0.546 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.224 5.138 2.144 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.206 6.791 1.193 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.513 6.325 2.788 1.00 0.00 C ATOM 451 CZ TYR A 30 -11.500 7.154 2.314 1.00 0.00 C ATOM 452 OH TYR A 30 -11.763 8.346 2.952 1.00 0.00 O ATOM 0 H TYR A 30 -10.774 1.261 1.574 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.684 2.902 0.819 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.774 2.954 0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.355 3.722 -0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -12.480 5.324 -0.334 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.445 4.497 2.528 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.986 7.435 0.816 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.958 6.604 3.672 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.171 8.440 3.727 1.00 0.00 H new ATOM 462 N CYS A 31 -11.569 1.978 -2.109 1.00 0.00 N ATOM 463 CA CYS A 31 -12.024 1.872 -3.524 1.00 0.00 C ATOM 464 C CYS A 31 -12.508 0.491 -3.971 1.00 0.00 C ATOM 465 O CYS A 31 -12.912 0.375 -5.109 1.00 0.00 O ATOM 466 CB CYS A 31 -10.888 2.326 -4.444 1.00 0.00 C ATOM 467 SG CYS A 31 -10.433 4.064 -4.459 1.00 0.00 S ATOM 0 H CYS A 31 -10.614 1.671 -1.923 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.902 2.514 -3.592 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.999 1.754 -4.179 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.155 2.045 -5.463 1.00 0.00 H new ATOM 472 N ALA A 32 -12.479 -0.518 -3.131 1.00 0.00 N ATOM 473 CA ALA A 32 -12.965 -1.885 -3.566 1.00 0.00 C ATOM 474 C ALA A 32 -14.273 -1.663 -4.384 1.00 0.00 C ATOM 475 O ALA A 32 -14.451 -2.136 -5.485 1.00 0.00 O ATOM 476 CB ALA A 32 -13.176 -2.703 -2.280 1.00 0.00 C ATOM 0 H ALA A 32 -12.144 -0.463 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 32 -12.268 -2.431 -4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.528 -3.702 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.233 -2.779 -1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.917 -2.208 -1.652 1.00 0.00 H new ATOM 482 N THR A 33 -15.136 -0.896 -3.778 1.00 0.00 N ATOM 483 CA THR A 33 -16.479 -0.517 -4.360 1.00 0.00 C ATOM 484 C THR A 33 -16.415 0.062 -5.783 1.00 0.00 C ATOM 485 O THR A 33 -17.304 -0.129 -6.587 1.00 0.00 O ATOM 486 CB THR A 33 -17.131 0.527 -3.470 1.00 0.00 C ATOM 487 OG1 THR A 33 -17.302 -0.099 -2.216 1.00 0.00 O ATOM 488 CG2 THR A 33 -18.578 0.767 -3.842 1.00 0.00 C ATOM 0 H THR A 33 -14.965 -0.492 -2.857 1.00 0.00 H new ATOM 0 HA THR A 33 -17.050 -1.444 -4.412 1.00 0.00 H new ATOM 0 HB THR A 33 -16.527 1.433 -3.523 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.721 0.529 -1.591 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.004 1.521 -3.180 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.636 1.116 -4.873 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.138 -0.162 -3.742 1.00 0.00 H new ATOM 496 N TRP A 34 -15.354 0.765 -6.044 1.00 0.00 N ATOM 497 CA TRP A 34 -15.134 1.409 -7.382 1.00 0.00 C ATOM 498 C TRP A 34 -14.030 0.720 -8.245 1.00 0.00 C ATOM 499 O TRP A 34 -13.760 1.092 -9.382 1.00 0.00 O ATOM 500 CB TRP A 34 -14.865 2.888 -6.989 1.00 0.00 C ATOM 501 CG TRP A 34 -16.191 3.505 -6.489 1.00 0.00 C ATOM 502 CD1 TRP A 34 -17.354 3.569 -7.199 1.00 0.00 C ATOM 503 CD2 TRP A 34 -16.397 4.063 -5.277 1.00 0.00 C ATOM 504 NE1 TRP A 34 -18.177 4.167 -6.356 1.00 0.00 N ATOM 505 CE2 TRP A 34 -17.693 4.504 -5.171 1.00 0.00 C ATOM 506 CE3 TRP A 34 -15.519 4.226 -4.229 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -18.116 5.115 -4.007 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -15.937 4.838 -3.053 1.00 0.00 C ATOM 509 CH2 TRP A 34 -17.243 5.283 -2.947 1.00 0.00 C ATOM 0 H TRP A 34 -14.604 0.930 -5.372 1.00 0.00 H new ATOM 0 HA TRP A 34 -15.979 1.315 -8.064 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.104 2.942 -6.211 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -14.486 3.446 -7.845 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -17.553 3.218 -8.201 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -19.146 4.361 -6.608 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -14.501 3.877 -4.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -19.135 5.464 -3.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -15.249 4.965 -2.230 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -17.580 5.760 -2.039 1.00 0.00 H new ATOM 520 N ASP A 35 -13.428 -0.281 -7.657 1.00 0.00 N ATOM 521 CA ASP A 35 -12.337 -1.085 -8.314 1.00 0.00 C ATOM 522 C ASP A 35 -12.623 -2.562 -8.557 1.00 0.00 C ATOM 523 O ASP A 35 -12.348 -3.087 -9.621 1.00 0.00 O ATOM 524 CB ASP A 35 -11.097 -0.908 -7.443 1.00 0.00 C ATOM 525 CG ASP A 35 -10.536 0.492 -7.652 1.00 0.00 C ATOM 526 OD1 ASP A 35 -11.065 1.239 -8.463 1.00 0.00 O ATOM 527 OD2 ASP A 35 -9.560 0.783 -6.991 1.00 0.00 O ATOM 0 H ASP A 35 -13.653 -0.590 -6.711 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.218 -0.703 -9.328 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.350 -1.059 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.347 -1.656 -7.700 1.00 0.00 H new ATOM 532 N ALA A 36 -13.163 -3.198 -7.568 1.00 0.00 N ATOM 533 CA ALA A 36 -13.500 -4.645 -7.665 1.00 0.00 C ATOM 534 C ALA A 36 -14.257 -4.904 -8.997 1.00 0.00 C ATOM 535 O ALA A 36 -14.029 -5.845 -9.728 1.00 0.00 O ATOM 536 CB ALA A 36 -14.363 -4.979 -6.462 1.00 0.00 C ATOM 0 H ALA A 36 -13.393 -2.770 -6.671 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.609 -5.273 -7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.635 -6.034 -6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.807 -4.773 -5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.267 -4.370 -6.482 1.00 0.00 H new ATOM 542 N SER A 37 -15.167 -4.015 -9.297 1.00 0.00 N ATOM 543 CA SER A 37 -15.970 -4.159 -10.559 1.00 0.00 C ATOM 544 C SER A 37 -15.286 -3.631 -11.830 1.00 0.00 C ATOM 545 O SER A 37 -15.921 -3.594 -12.868 1.00 0.00 O ATOM 546 CB SER A 37 -17.333 -3.430 -10.412 1.00 0.00 C ATOM 547 OG SER A 37 -17.057 -2.036 -10.552 1.00 0.00 O ATOM 0 H SER A 37 -15.392 -3.198 -8.730 1.00 0.00 H new ATOM 0 HA SER A 37 -16.090 -5.235 -10.686 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.038 -3.765 -11.173 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.785 -3.642 -9.443 1.00 0.00 H new ATOM 0 HG SER A 37 -17.891 -1.527 -10.468 1.00 0.00 H new ATOM 553 N LYS A 38 -14.034 -3.235 -11.791 1.00 0.00 N ATOM 554 CA LYS A 38 -13.432 -2.743 -13.076 1.00 0.00 C ATOM 555 C LYS A 38 -13.168 -3.955 -13.975 1.00 0.00 C ATOM 556 O LYS A 38 -13.054 -5.061 -13.480 1.00 0.00 O ATOM 557 CB LYS A 38 -12.105 -2.019 -12.780 1.00 0.00 C ATOM 558 CG LYS A 38 -12.403 -0.535 -12.583 1.00 0.00 C ATOM 559 CD LYS A 38 -11.068 0.183 -12.288 1.00 0.00 C ATOM 560 CE LYS A 38 -11.263 1.669 -12.466 1.00 0.00 C ATOM 561 NZ LYS A 38 -12.223 2.154 -11.431 1.00 0.00 N ATOM 0 H LYS A 38 -13.428 -3.229 -10.971 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.111 -2.048 -13.570 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.637 -2.434 -11.888 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.404 -2.160 -13.603 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.871 -0.118 -13.475 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.103 -0.393 -11.760 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.739 -0.035 -11.272 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.289 -0.178 -12.960 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.310 2.189 -12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.644 1.883 -13.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.102 2.465 -11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.435 1.383 -10.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.802 2.952 -10.914 1.00 0.00 H new ATOM 575 N PRO A 39 -13.062 -3.768 -15.269 1.00 0.00 N ATOM 576 CA PRO A 39 -12.675 -4.896 -16.165 1.00 0.00 C ATOM 577 C PRO A 39 -11.265 -5.443 -15.811 1.00 0.00 C ATOM 578 O PRO A 39 -10.328 -4.684 -15.598 1.00 0.00 O ATOM 579 CB PRO A 39 -12.802 -4.282 -17.577 1.00 0.00 C ATOM 580 CG PRO A 39 -12.573 -2.759 -17.344 1.00 0.00 C ATOM 581 CD PRO A 39 -13.288 -2.489 -15.998 1.00 0.00 C ATOM 0 HA PRO A 39 -13.301 -5.783 -16.071 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.062 -4.697 -18.261 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.783 -4.477 -18.011 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.512 -2.516 -17.291 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.997 -2.161 -18.151 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.859 -1.637 -15.471 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -14.349 -2.278 -16.134 1.00 0.00 H new ATOM 589 N LEU A 40 -11.164 -6.761 -15.756 1.00 0.00 N ATOM 590 CA LEU A 40 -9.874 -7.454 -15.428 1.00 0.00 C ATOM 591 C LEU A 40 -8.701 -6.681 -16.059 1.00 0.00 C ATOM 592 O LEU A 40 -7.758 -6.367 -15.376 1.00 0.00 O ATOM 593 CB LEU A 40 -9.987 -8.929 -15.950 1.00 0.00 C ATOM 594 CG LEU A 40 -9.834 -9.936 -14.755 1.00 0.00 C ATOM 595 CD1 LEU A 40 -10.112 -11.366 -15.262 1.00 0.00 C ATOM 596 CD2 LEU A 40 -8.377 -9.929 -14.247 1.00 0.00 C ATOM 0 H LEU A 40 -11.944 -7.395 -15.930 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.684 -7.480 -14.355 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.949 -9.077 -16.440 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.216 -9.119 -16.697 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.526 -9.644 -13.965 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.008 -12.071 -14.437 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.125 -11.420 -15.660 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.400 -11.618 -16.048 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.277 -10.630 -13.418 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.708 -10.226 -15.055 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.115 -8.927 -13.909 1.00 0.00 H new ATOM 608 N SER A 41 -8.809 -6.396 -17.336 1.00 0.00 N ATOM 609 CA SER A 41 -7.755 -5.633 -18.086 1.00 0.00 C ATOM 610 C SER A 41 -7.104 -4.503 -17.251 1.00 0.00 C ATOM 611 O SER A 41 -5.920 -4.536 -16.973 1.00 0.00 O ATOM 612 CB SER A 41 -8.401 -5.034 -19.366 1.00 0.00 C ATOM 613 OG SER A 41 -8.685 -6.139 -20.218 1.00 0.00 O ATOM 0 H SER A 41 -9.609 -6.669 -17.908 1.00 0.00 H new ATOM 0 HA SER A 41 -6.954 -6.330 -18.333 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.311 -4.485 -19.123 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.724 -4.331 -19.852 1.00 0.00 H new ATOM 0 HG SER A 41 -9.098 -5.816 -21.046 1.00 0.00 H new ATOM 619 N TRP A 42 -7.897 -3.529 -16.857 1.00 0.00 N ATOM 620 CA TRP A 42 -7.289 -2.411 -16.049 1.00 0.00 C ATOM 621 C TRP A 42 -6.759 -2.954 -14.728 1.00 0.00 C ATOM 622 O TRP A 42 -5.645 -2.656 -14.341 1.00 0.00 O ATOM 623 CB TRP A 42 -8.348 -1.300 -15.756 1.00 0.00 C ATOM 624 CG TRP A 42 -7.657 -0.150 -14.982 1.00 0.00 C ATOM 625 CD1 TRP A 42 -7.113 0.954 -15.579 1.00 0.00 C ATOM 626 CD2 TRP A 42 -7.445 -0.068 -13.634 1.00 0.00 C ATOM 627 NE1 TRP A 42 -6.609 1.617 -14.558 1.00 0.00 N ATOM 628 CE2 TRP A 42 -6.755 1.092 -13.359 1.00 0.00 C ATOM 629 CE3 TRP A 42 -7.779 -0.892 -12.573 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -6.405 1.423 -12.068 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -7.433 -0.567 -11.276 1.00 0.00 C ATOM 632 CH2 TRP A 42 -6.743 0.594 -11.020 1.00 0.00 C ATOM 0 H TRP A 42 -8.896 -3.456 -17.048 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.472 -1.980 -16.627 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.773 -0.927 -16.688 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.172 -1.708 -15.171 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.100 1.217 -16.626 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -6.124 2.504 -14.691 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -8.321 -1.807 -12.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -5.863 2.337 -11.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -7.704 -1.225 -10.463 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.469 0.854 -10.008 1.00 0.00 H new ATOM 643 N ARG A 43 -7.608 -3.728 -14.112 1.00 0.00 N ATOM 644 CA ARG A 43 -7.264 -4.352 -12.796 1.00 0.00 C ATOM 645 C ARG A 43 -5.891 -4.999 -12.810 1.00 0.00 C ATOM 646 O ARG A 43 -5.024 -4.603 -12.068 1.00 0.00 O ATOM 647 CB ARG A 43 -8.336 -5.383 -12.467 1.00 0.00 C ATOM 648 CG ARG A 43 -9.552 -4.637 -11.912 1.00 0.00 C ATOM 649 CD ARG A 43 -10.804 -5.452 -12.095 1.00 0.00 C ATOM 650 NE ARG A 43 -10.601 -6.796 -11.474 1.00 0.00 N ATOM 651 CZ ARG A 43 -11.378 -7.790 -11.718 1.00 0.00 C ATOM 652 NH1 ARG A 43 -12.505 -7.619 -12.298 1.00 0.00 N ATOM 653 NH2 ARG A 43 -10.977 -8.941 -11.361 1.00 0.00 N ATOM 0 H ARG A 43 -8.537 -3.960 -14.465 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.231 -3.574 -12.033 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.609 -5.947 -13.359 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.963 -6.101 -11.737 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.402 -4.424 -10.854 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.659 -3.678 -12.419 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.653 -4.948 -11.633 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.034 -5.557 -13.155 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.818 -6.929 -10.834 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.799 -6.682 -12.575 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.109 -8.419 -12.484 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.072 -9.046 -10.902 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.560 -9.760 -11.534 1.00 0.00 H new ATOM 667 N SER A 44 -5.682 -5.963 -13.657 1.00 0.00 N ATOM 668 CA SER A 44 -4.354 -6.629 -13.698 1.00 0.00 C ATOM 669 C SER A 44 -3.299 -5.652 -14.287 1.00 0.00 C ATOM 670 O SER A 44 -2.153 -5.691 -13.892 1.00 0.00 O ATOM 671 CB SER A 44 -4.487 -7.936 -14.542 1.00 0.00 C ATOM 672 OG SER A 44 -5.180 -7.611 -15.747 1.00 0.00 O ATOM 0 H SER A 44 -6.370 -6.318 -14.321 1.00 0.00 H new ATOM 0 HA SER A 44 -4.018 -6.898 -12.697 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.503 -8.347 -14.767 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.030 -8.698 -13.983 1.00 0.00 H new ATOM 0 HG SER A 44 -5.275 -8.417 -16.297 1.00 0.00 H new ATOM 678 N LYS A 45 -3.676 -4.796 -15.202 1.00 0.00 N ATOM 679 CA LYS A 45 -2.708 -3.816 -15.819 1.00 0.00 C ATOM 680 C LYS A 45 -2.091 -2.717 -14.888 1.00 0.00 C ATOM 681 O LYS A 45 -0.888 -2.518 -14.925 1.00 0.00 O ATOM 682 CB LYS A 45 -3.467 -3.191 -16.996 1.00 0.00 C ATOM 683 CG LYS A 45 -2.670 -2.041 -17.636 1.00 0.00 C ATOM 684 CD LYS A 45 -3.512 -0.728 -17.458 1.00 0.00 C ATOM 685 CE LYS A 45 -4.584 -0.616 -18.540 1.00 0.00 C ATOM 686 NZ LYS A 45 -3.868 -0.399 -19.834 1.00 0.00 N ATOM 0 H LYS A 45 -4.629 -4.728 -15.559 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.813 -4.370 -16.103 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.670 -3.955 -17.746 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.432 -2.818 -16.651 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.695 -1.939 -17.160 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.490 -2.241 -18.692 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.981 -0.723 -16.474 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.854 0.140 -17.502 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.189 -1.522 -18.580 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.262 0.211 -18.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.466 0.164 -20.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.977 0.108 -19.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.662 -1.318 -20.275 1.00 0.00 H new ATOM 700 N TYR A 46 -2.896 -2.040 -14.113 1.00 0.00 N ATOM 701 CA TYR A 46 -2.360 -0.970 -13.202 1.00 0.00 C ATOM 702 C TYR A 46 -2.244 -1.494 -11.770 1.00 0.00 C ATOM 703 O TYR A 46 -2.924 -2.424 -11.402 1.00 0.00 O ATOM 704 CB TYR A 46 -3.348 0.258 -13.306 1.00 0.00 C ATOM 705 CG TYR A 46 -2.669 1.559 -13.818 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.736 1.545 -14.841 1.00 0.00 C ATOM 707 CD2 TYR A 46 -2.997 2.784 -13.252 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.153 2.726 -15.280 1.00 0.00 C ATOM 709 CE2 TYR A 46 -2.408 3.959 -13.701 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.486 3.932 -14.716 1.00 0.00 C ATOM 711 OH TYR A 46 -0.901 5.099 -15.164 1.00 0.00 O ATOM 0 H TYR A 46 -3.906 -2.178 -14.067 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.356 -0.663 -13.495 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.168 -0.002 -13.975 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.784 0.447 -12.325 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.460 0.608 -15.301 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.721 2.824 -12.451 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.426 2.695 -16.078 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.678 4.901 -13.247 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.253 5.858 -14.654 1.00 0.00 H new ATOM 721 N GLY A 47 -1.414 -0.915 -10.951 1.00 0.00 N ATOM 722 CA GLY A 47 -1.350 -1.477 -9.557 1.00 0.00 C ATOM 723 C GLY A 47 -2.295 -0.627 -8.731 1.00 0.00 C ATOM 724 O GLY A 47 -2.647 0.452 -9.153 1.00 0.00 O ATOM 0 H GLY A 47 -0.806 -0.123 -11.158 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.651 -2.525 -9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.335 -1.431 -9.162 1.00 0.00 H new ATOM 728 N TRP A 48 -2.706 -1.071 -7.589 1.00 0.00 N ATOM 729 CA TRP A 48 -3.641 -0.223 -6.781 1.00 0.00 C ATOM 730 C TRP A 48 -3.257 -0.501 -5.357 1.00 0.00 C ATOM 731 O TRP A 48 -3.750 -1.326 -4.608 1.00 0.00 O ATOM 732 CB TRP A 48 -5.149 -0.602 -7.136 1.00 0.00 C ATOM 733 CG TRP A 48 -5.511 -2.027 -6.980 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.673 -3.016 -7.324 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.688 -2.505 -6.542 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.396 -4.079 -7.077 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.598 -3.869 -6.609 1.00 0.00 C ATOM 738 CE3 TRP A 48 -7.883 -1.951 -6.100 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.612 -4.694 -6.265 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -8.926 -2.802 -5.753 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.762 -4.154 -5.847 1.00 0.00 C ATOM 0 H TRP A 48 -2.448 -1.967 -7.175 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.570 0.846 -6.983 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.811 -0.008 -6.505 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.344 -0.309 -8.168 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.665 -2.952 -7.705 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.040 -5.021 -7.241 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.999 -0.880 -6.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.496 -5.766 -6.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.865 -2.394 -5.409 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.581 -4.804 -5.577 1.00 0.00 H new ATOM 752 N THR A 49 -2.284 0.296 -5.071 1.00 0.00 N ATOM 753 CA THR A 49 -1.665 0.257 -3.722 1.00 0.00 C ATOM 754 C THR A 49 -2.394 1.029 -2.641 1.00 0.00 C ATOM 755 O THR A 49 -3.536 1.429 -2.768 1.00 0.00 O ATOM 756 CB THR A 49 -0.208 0.749 -3.930 1.00 0.00 C ATOM 757 OG1 THR A 49 -0.286 1.953 -4.686 1.00 0.00 O ATOM 758 CG2 THR A 49 0.469 -0.184 -4.922 1.00 0.00 C ATOM 0 H THR A 49 -1.883 0.980 -5.713 1.00 0.00 H new ATOM 0 HA THR A 49 -1.714 -0.759 -3.330 1.00 0.00 H new ATOM 0 HB THR A 49 0.296 0.827 -2.967 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.617 2.302 -4.840 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.496 0.142 -5.085 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.469 -1.199 -4.525 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.072 -0.164 -5.868 1.00 0.00 H new ATOM 766 N ALA A 50 -1.695 1.208 -1.568 1.00 0.00 N ATOM 767 CA ALA A 50 -2.291 1.943 -0.440 1.00 0.00 C ATOM 768 C ALA A 50 -1.606 3.281 -0.162 1.00 0.00 C ATOM 769 O ALA A 50 -0.551 3.591 -0.680 1.00 0.00 O ATOM 770 CB ALA A 50 -2.210 0.978 0.741 1.00 0.00 C ATOM 0 H ALA A 50 -0.741 0.878 -1.425 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.319 2.233 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.635 1.450 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.769 0.072 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.168 0.723 0.931 1.00 0.00 H new ATOM 776 N PHE A 51 -2.271 4.033 0.666 1.00 0.00 N ATOM 777 CA PHE A 51 -1.737 5.381 1.060 1.00 0.00 C ATOM 778 C PHE A 51 -0.716 5.144 2.189 1.00 0.00 C ATOM 779 O PHE A 51 -0.904 4.206 2.940 1.00 0.00 O ATOM 780 CB PHE A 51 -2.938 6.251 1.553 1.00 0.00 C ATOM 781 CG PHE A 51 -2.673 6.758 2.997 1.00 0.00 C ATOM 782 CD1 PHE A 51 -2.888 5.922 4.082 1.00 0.00 C ATOM 783 CD2 PHE A 51 -2.190 8.029 3.229 1.00 0.00 C ATOM 784 CE1 PHE A 51 -2.624 6.344 5.371 1.00 0.00 C ATOM 785 CE2 PHE A 51 -1.924 8.460 4.514 1.00 0.00 C ATOM 786 CZ PHE A 51 -2.140 7.619 5.585 1.00 0.00 C ATOM 0 H PHE A 51 -3.163 3.780 1.092 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.252 5.901 0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.083 7.098 0.883 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.856 5.664 1.528 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.268 4.925 3.917 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.018 8.695 2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.795 5.681 6.206 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.546 9.458 4.680 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.931 7.957 6.589 1.00 0.00 H new ATOM 796 N CYS A 52 0.289 5.973 2.264 1.00 0.00 N ATOM 797 CA CYS A 52 1.317 5.831 3.333 1.00 0.00 C ATOM 798 C CYS A 52 1.759 7.256 3.766 1.00 0.00 C ATOM 799 O CYS A 52 1.500 8.226 3.070 1.00 0.00 O ATOM 800 CB CYS A 52 2.510 5.003 2.776 1.00 0.00 C ATOM 801 SG CYS A 52 2.304 3.223 2.515 1.00 0.00 S ATOM 0 H CYS A 52 0.443 6.751 1.623 1.00 0.00 H new ATOM 0 HA CYS A 52 0.922 5.307 4.203 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.798 5.443 1.821 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.350 5.140 3.456 1.00 0.00 H new ATOM 806 N GLY A 53 2.410 7.308 4.900 1.00 0.00 N ATOM 807 CA GLY A 53 2.912 8.606 5.471 1.00 0.00 C ATOM 808 C GLY A 53 4.442 8.600 5.659 1.00 0.00 C ATOM 809 O GLY A 53 5.098 7.666 5.248 1.00 0.00 O ATOM 0 H GLY A 53 2.622 6.489 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.631 9.426 4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.429 8.791 6.431 1.00 0.00 H new ATOM 813 N PRO A 54 4.995 9.629 6.265 1.00 0.00 N ATOM 814 CA PRO A 54 4.297 10.874 6.753 1.00 0.00 C ATOM 815 C PRO A 54 3.742 11.847 5.678 1.00 0.00 C ATOM 816 O PRO A 54 3.017 12.772 5.988 1.00 0.00 O ATOM 817 CB PRO A 54 5.346 11.557 7.670 1.00 0.00 C ATOM 818 CG PRO A 54 6.728 10.919 7.315 1.00 0.00 C ATOM 819 CD PRO A 54 6.456 9.616 6.541 1.00 0.00 C ATOM 0 HA PRO A 54 3.373 10.588 7.256 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.362 12.634 7.505 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.104 11.399 8.721 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.323 11.605 6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.299 10.714 8.221 1.00 0.00 H new ATOM 0 HD2 PRO A 54 7.032 9.579 5.616 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.739 8.742 7.128 1.00 0.00 H new ATOM 827 N ALA A 55 4.079 11.604 4.440 1.00 0.00 N ATOM 828 CA ALA A 55 3.619 12.481 3.302 1.00 0.00 C ATOM 829 C ALA A 55 2.497 11.950 2.355 1.00 0.00 C ATOM 830 O ALA A 55 2.698 11.896 1.152 1.00 0.00 O ATOM 831 CB ALA A 55 4.918 12.803 2.532 1.00 0.00 C ATOM 0 H ALA A 55 4.666 10.820 4.155 1.00 0.00 H new ATOM 0 HA ALA A 55 3.102 13.342 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.687 13.441 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.614 13.319 3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.371 11.876 2.180 1.00 0.00 H new ATOM 837 N GLY A 56 1.362 11.617 2.918 1.00 0.00 N ATOM 838 CA GLY A 56 0.206 11.083 2.106 1.00 0.00 C ATOM 839 C GLY A 56 -1.090 11.908 2.163 1.00 0.00 C ATOM 840 O GLY A 56 -1.982 11.517 2.889 1.00 0.00 O ATOM 0 H GLY A 56 1.178 11.691 3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.521 11.009 1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.015 10.071 2.445 1.00 0.00 H new ATOM 844 N PRO A 57 -1.209 12.996 1.431 1.00 0.00 N ATOM 845 CA PRO A 57 -2.424 13.847 1.569 1.00 0.00 C ATOM 846 C PRO A 57 -3.591 13.155 0.838 1.00 0.00 C ATOM 847 O PRO A 57 -3.725 13.225 -0.369 1.00 0.00 O ATOM 848 CB PRO A 57 -2.030 15.200 0.937 1.00 0.00 C ATOM 849 CG PRO A 57 -0.566 15.035 0.409 1.00 0.00 C ATOM 850 CD PRO A 57 -0.239 13.516 0.443 1.00 0.00 C ATOM 0 HA PRO A 57 -2.754 13.999 2.597 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.708 15.461 0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.089 16.003 1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.475 15.426 -0.604 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.133 15.594 1.031 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.369 13.052 -0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.790 13.330 0.750 1.00 0.00 H new ATOM 858 N ARG A 58 -4.406 12.503 1.620 1.00 0.00 N ATOM 859 CA ARG A 58 -5.601 11.778 1.082 1.00 0.00 C ATOM 860 C ARG A 58 -6.759 11.671 2.096 1.00 0.00 C ATOM 861 O ARG A 58 -6.601 11.772 3.295 1.00 0.00 O ATOM 862 CB ARG A 58 -5.062 10.380 0.613 1.00 0.00 C ATOM 863 CG ARG A 58 -5.780 9.133 1.256 1.00 0.00 C ATOM 864 CD ARG A 58 -5.508 9.008 2.779 1.00 0.00 C ATOM 865 NE ARG A 58 -6.841 9.057 3.487 1.00 0.00 N ATOM 866 CZ ARG A 58 -7.371 7.990 3.967 1.00 0.00 C ATOM 867 NH1 ARG A 58 -7.565 7.032 3.160 1.00 0.00 N ATOM 868 NH2 ARG A 58 -7.683 7.912 5.197 1.00 0.00 N ATOM 0 H ARG A 58 -4.295 12.439 2.632 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.051 12.326 0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.159 10.316 -0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.998 10.324 0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.854 9.210 1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.443 8.226 0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.991 8.074 3.000 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.863 9.818 3.120 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.327 9.949 3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.303 7.130 2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.983 6.163 3.491 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.513 8.704 5.817 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.103 7.058 5.563 1.00 0.00 H new ATOM 882 N GLY A 59 -7.926 11.455 1.580 1.00 0.00 N ATOM 883 CA GLY A 59 -9.146 11.326 2.435 1.00 0.00 C ATOM 884 C GLY A 59 -10.255 10.943 1.496 1.00 0.00 C ATOM 885 O GLY A 59 -9.982 10.479 0.401 1.00 0.00 O ATOM 0 H GLY A 59 -8.099 11.359 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.006 10.569 3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.369 12.263 2.945 1.00 0.00 H new ATOM 889 N GLN A 60 -11.455 11.158 1.964 1.00 0.00 N ATOM 890 CA GLN A 60 -12.675 10.842 1.156 1.00 0.00 C ATOM 891 C GLN A 60 -12.352 11.045 -0.351 1.00 0.00 C ATOM 892 O GLN A 60 -12.457 10.174 -1.194 1.00 0.00 O ATOM 893 CB GLN A 60 -13.817 11.790 1.672 1.00 0.00 C ATOM 894 CG GLN A 60 -14.049 11.564 3.217 1.00 0.00 C ATOM 895 CD GLN A 60 -15.101 12.491 3.845 1.00 0.00 C ATOM 896 OE1 GLN A 60 -15.316 12.477 5.035 1.00 0.00 O ATOM 897 NE2 GLN A 60 -15.801 13.322 3.146 1.00 0.00 N ATOM 0 H GLN A 60 -11.647 11.546 2.888 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.999 9.807 1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -13.550 12.830 1.484 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.739 11.594 1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.352 10.529 3.379 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.102 11.704 3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.665 13.380 2.137 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.489 13.920 3.603 1.00 0.00 H new ATOM 906 N ALA A 61 -11.905 12.235 -0.649 1.00 0.00 N ATOM 907 CA ALA A 61 -11.554 12.601 -2.058 1.00 0.00 C ATOM 908 C ALA A 61 -10.187 12.045 -2.575 1.00 0.00 C ATOM 909 O ALA A 61 -9.414 12.713 -3.243 1.00 0.00 O ATOM 910 CB ALA A 61 -11.606 14.138 -2.097 1.00 0.00 C ATOM 0 H ALA A 61 -11.765 12.982 0.032 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.263 12.134 -2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.359 14.485 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.608 14.475 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.887 14.545 -1.386 1.00 0.00 H new ATOM 916 N ALA A 62 -9.945 10.803 -2.244 1.00 0.00 N ATOM 917 CA ALA A 62 -8.688 10.072 -2.649 1.00 0.00 C ATOM 918 C ALA A 62 -8.967 8.836 -3.529 1.00 0.00 C ATOM 919 O ALA A 62 -8.094 8.401 -4.264 1.00 0.00 O ATOM 920 CB ALA A 62 -7.932 9.632 -1.394 1.00 0.00 C ATOM 0 H ALA A 62 -10.587 10.238 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.092 10.765 -3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.023 9.104 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.669 10.508 -0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.564 8.970 -0.802 1.00 0.00 H new ATOM 926 N CYS A 63 -10.171 8.328 -3.449 1.00 0.00 N ATOM 927 CA CYS A 63 -10.519 7.129 -4.269 1.00 0.00 C ATOM 928 C CYS A 63 -10.645 7.633 -5.715 1.00 0.00 C ATOM 929 O CYS A 63 -11.684 7.997 -6.227 1.00 0.00 O ATOM 930 CB CYS A 63 -11.850 6.523 -3.781 1.00 0.00 C ATOM 931 SG CYS A 63 -12.179 5.034 -4.762 1.00 0.00 S ATOM 0 H CYS A 63 -10.921 8.687 -2.858 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.764 6.347 -4.189 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.791 6.276 -2.721 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -12.661 7.242 -3.896 1.00 0.00 H new ATOM 936 N GLY A 64 -9.516 7.655 -6.363 1.00 0.00 N ATOM 937 CA GLY A 64 -9.453 8.135 -7.787 1.00 0.00 C ATOM 938 C GLY A 64 -8.084 8.691 -8.124 1.00 0.00 C ATOM 939 O GLY A 64 -7.836 9.033 -9.261 1.00 0.00 O ATOM 0 H GLY A 64 -8.622 7.360 -5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.689 7.311 -8.461 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.209 8.904 -7.947 1.00 0.00 H new ATOM 943 N LYS A 65 -7.233 8.771 -7.128 1.00 0.00 N ATOM 944 CA LYS A 65 -5.856 9.299 -7.365 1.00 0.00 C ATOM 945 C LYS A 65 -4.862 8.145 -7.421 1.00 0.00 C ATOM 946 O LYS A 65 -5.139 7.017 -7.044 1.00 0.00 O ATOM 947 CB LYS A 65 -5.442 10.268 -6.215 1.00 0.00 C ATOM 948 CG LYS A 65 -5.987 11.682 -6.483 1.00 0.00 C ATOM 949 CD LYS A 65 -7.535 11.680 -6.432 1.00 0.00 C ATOM 950 CE LYS A 65 -8.066 13.051 -6.788 1.00 0.00 C ATOM 951 NZ LYS A 65 -7.576 13.972 -5.716 1.00 0.00 N ATOM 0 H LYS A 65 -7.433 8.494 -6.167 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.851 9.838 -8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.825 9.898 -5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.356 10.300 -6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.593 12.378 -5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.649 12.031 -7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.929 10.937 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.874 11.397 -5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.707 13.366 -7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.155 13.048 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.193 14.808 -5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.591 13.478 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.604 14.271 -5.933 1.00 0.00 H new ATOM 965 N CYS A 66 -3.702 8.504 -7.902 1.00 0.00 N ATOM 966 CA CYS A 66 -2.564 7.568 -8.059 1.00 0.00 C ATOM 967 C CYS A 66 -1.288 8.010 -7.302 1.00 0.00 C ATOM 968 O CYS A 66 -1.109 9.100 -6.799 1.00 0.00 O ATOM 969 CB CYS A 66 -2.297 7.449 -9.563 1.00 0.00 C ATOM 970 SG CYS A 66 -3.407 6.343 -10.462 1.00 0.00 S ATOM 0 H CYS A 66 -3.494 9.456 -8.205 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.828 6.607 -7.617 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.364 8.442 -10.006 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.273 7.104 -9.707 1.00 0.00 H new ATOM 975 N LEU A 67 -0.405 7.076 -7.242 1.00 0.00 N ATOM 976 CA LEU A 67 0.903 7.249 -6.575 1.00 0.00 C ATOM 977 C LEU A 67 1.968 6.810 -7.609 1.00 0.00 C ATOM 978 O LEU A 67 1.871 5.727 -8.165 1.00 0.00 O ATOM 979 CB LEU A 67 0.818 6.362 -5.315 1.00 0.00 C ATOM 980 CG LEU A 67 1.527 7.020 -4.130 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.256 6.197 -2.867 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.029 7.016 -4.360 1.00 0.00 C ATOM 0 H LEU A 67 -0.541 6.150 -7.648 1.00 0.00 H new ATOM 0 HA LEU A 67 1.164 8.260 -6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.227 6.182 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.269 5.391 -5.519 1.00 0.00 H new ATOM 0 HG LEU A 67 1.161 8.041 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.758 6.659 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.183 6.161 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.634 5.184 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.528 7.486 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.379 5.989 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.259 7.570 -5.270 1.00 0.00 H new ATOM 994 N ARG A 68 2.945 7.647 -7.844 1.00 0.00 N ATOM 995 CA ARG A 68 4.019 7.296 -8.828 1.00 0.00 C ATOM 996 C ARG A 68 5.162 6.805 -7.939 1.00 0.00 C ATOM 997 O ARG A 68 5.553 7.495 -7.009 1.00 0.00 O ATOM 998 CB ARG A 68 4.468 8.556 -9.620 1.00 0.00 C ATOM 999 CG ARG A 68 5.899 8.344 -10.257 1.00 0.00 C ATOM 1000 CD ARG A 68 6.397 9.683 -10.808 1.00 0.00 C ATOM 1001 NE ARG A 68 5.789 9.857 -12.165 1.00 0.00 N ATOM 1002 CZ ARG A 68 6.309 10.636 -13.022 1.00 0.00 C ATOM 1003 NH1 ARG A 68 7.400 10.282 -13.564 1.00 0.00 N ATOM 1004 NH2 ARG A 68 5.694 11.720 -13.275 1.00 0.00 N ATOM 0 H ARG A 68 3.048 8.559 -7.399 1.00 0.00 H new ATOM 0 HA ARG A 68 3.695 6.563 -9.566 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.745 8.773 -10.406 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.486 9.420 -8.956 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.593 7.963 -9.508 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.851 7.602 -11.054 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.108 10.502 -10.149 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.485 9.693 -10.870 1.00 0.00 H new ATOM 0 HE ARG A 68 4.943 9.341 -12.405 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.833 9.395 -13.307 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.844 10.885 -14.257 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.819 11.934 -12.796 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.076 12.376 -13.957 1.00 0.00 H new ATOM 1018 N VAL A 69 5.654 5.646 -8.274 1.00 0.00 N ATOM 1019 CA VAL A 69 6.772 5.017 -7.501 1.00 0.00 C ATOM 1020 C VAL A 69 7.969 4.819 -8.437 1.00 0.00 C ATOM 1021 O VAL A 69 7.788 4.304 -9.525 1.00 0.00 O ATOM 1022 CB VAL A 69 6.285 3.654 -6.951 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.382 3.047 -6.061 1.00 0.00 C ATOM 1024 CG2 VAL A 69 4.994 3.830 -6.130 1.00 0.00 C ATOM 0 H VAL A 69 5.325 5.094 -9.066 1.00 0.00 H new ATOM 0 HA VAL A 69 7.074 5.653 -6.669 1.00 0.00 H new ATOM 0 HB VAL A 69 6.075 2.990 -7.789 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.044 2.087 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.288 2.901 -6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.592 3.722 -5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.668 2.861 -5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.184 4.501 -5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.215 4.253 -6.764 1.00 0.00 H new ATOM 1034 N THR A 70 9.126 5.219 -7.968 1.00 0.00 N ATOM 1035 CA THR A 70 10.436 5.122 -8.734 1.00 0.00 C ATOM 1036 C THR A 70 11.533 4.340 -7.983 1.00 0.00 C ATOM 1037 O THR A 70 11.633 4.455 -6.772 1.00 0.00 O ATOM 1038 CB THR A 70 10.950 6.530 -9.001 1.00 0.00 C ATOM 1039 OG1 THR A 70 9.979 7.058 -9.879 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.221 6.522 -9.877 1.00 0.00 C ATOM 0 H THR A 70 9.232 5.631 -7.041 1.00 0.00 H new ATOM 0 HA THR A 70 10.224 4.578 -9.655 1.00 0.00 H new ATOM 0 HB THR A 70 11.138 7.046 -8.059 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.218 7.978 -10.116 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.555 7.546 -10.043 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.008 5.962 -9.372 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.999 6.052 -10.835 1.00 0.00 H new ATOM 1048 N ASN A 71 12.317 3.603 -8.743 1.00 0.00 N ATOM 1049 CA ASN A 71 13.450 2.749 -8.218 1.00 0.00 C ATOM 1050 C ASN A 71 14.900 3.153 -8.675 1.00 0.00 C ATOM 1051 O ASN A 71 15.490 2.427 -9.464 1.00 0.00 O ATOM 1052 CB ASN A 71 13.068 1.297 -8.663 1.00 0.00 C ATOM 1053 CG ASN A 71 13.983 0.227 -8.069 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.145 0.150 -6.879 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.626 -0.655 -8.757 1.00 0.00 N ATOM 0 H ASN A 71 12.214 3.555 -9.757 1.00 0.00 H new ATOM 0 HA ASN A 71 13.533 2.873 -7.138 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.039 1.092 -8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.105 1.235 -9.751 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.213 -1.342 -8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.548 -0.665 -9.774 1.00 0.00 H new ATOM 1062 N PRO A 72 15.452 4.258 -8.186 1.00 0.00 N ATOM 1063 CA PRO A 72 16.640 4.941 -8.808 1.00 0.00 C ATOM 1064 C PRO A 72 17.662 3.891 -9.248 1.00 0.00 C ATOM 1065 O PRO A 72 17.982 3.804 -10.412 1.00 0.00 O ATOM 1066 CB PRO A 72 17.141 5.904 -7.709 1.00 0.00 C ATOM 1067 CG PRO A 72 15.838 6.278 -6.968 1.00 0.00 C ATOM 1068 CD PRO A 72 15.004 4.965 -6.950 1.00 0.00 C ATOM 0 HA PRO A 72 16.420 5.502 -9.716 1.00 0.00 H new ATOM 0 HB2 PRO A 72 17.860 5.423 -7.046 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.633 6.780 -8.131 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.044 6.630 -5.957 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.306 7.078 -7.482 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.201 4.375 -6.055 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.933 5.168 -6.968 1.00 0.00 H new ATOM 1076 N ALA A 73 18.110 3.141 -8.271 1.00 0.00 N ATOM 1077 CA ALA A 73 19.109 2.030 -8.431 1.00 0.00 C ATOM 1078 C ALA A 73 19.092 1.325 -9.816 1.00 0.00 C ATOM 1079 O ALA A 73 20.102 0.895 -10.333 1.00 0.00 O ATOM 1080 CB ALA A 73 18.814 1.037 -7.288 1.00 0.00 C ATOM 0 H ALA A 73 17.803 3.262 -7.306 1.00 0.00 H new ATOM 0 HA ALA A 73 20.115 2.446 -8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.509 0.199 -7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.932 1.541 -6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.793 0.668 -7.381 1.00 0.00 H new ATOM 1086 N THR A 74 17.907 1.237 -10.355 1.00 0.00 N ATOM 1087 CA THR A 74 17.657 0.589 -11.693 1.00 0.00 C ATOM 1088 C THR A 74 17.167 1.632 -12.697 1.00 0.00 C ATOM 1089 O THR A 74 17.542 1.607 -13.851 1.00 0.00 O ATOM 1090 CB THR A 74 16.576 -0.482 -11.591 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.430 0.230 -11.151 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.853 -1.493 -10.476 1.00 0.00 C ATOM 0 H THR A 74 17.063 1.600 -9.911 1.00 0.00 H new ATOM 0 HA THR A 74 18.597 0.143 -12.017 1.00 0.00 H new ATOM 0 HB THR A 74 16.496 -1.013 -12.540 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.626 -0.166 -11.548 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.053 -2.232 -10.448 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.803 -1.993 -10.666 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.901 -0.974 -9.518 1.00 0.00 H new ATOM 1100 N GLY A 75 16.327 2.506 -12.204 1.00 0.00 N ATOM 1101 CA GLY A 75 15.731 3.606 -13.032 1.00 0.00 C ATOM 1102 C GLY A 75 14.273 3.318 -13.358 1.00 0.00 C ATOM 1103 O GLY A 75 13.622 4.106 -14.013 1.00 0.00 O ATOM 0 H GLY A 75 16.019 2.505 -11.232 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.807 4.551 -12.495 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.298 3.718 -13.956 1.00 0.00 H new ATOM 1107 N ALA A 76 13.774 2.203 -12.888 1.00 0.00 N ATOM 1108 CA ALA A 76 12.339 1.872 -13.196 1.00 0.00 C ATOM 1109 C ALA A 76 11.320 2.760 -12.437 1.00 0.00 C ATOM 1110 O ALA A 76 11.596 3.334 -11.400 1.00 0.00 O ATOM 1111 CB ALA A 76 12.120 0.374 -12.857 1.00 0.00 C ATOM 0 H ALA A 76 14.277 1.521 -12.320 1.00 0.00 H new ATOM 0 HA ALA A 76 12.159 2.072 -14.252 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.087 0.100 -13.069 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.789 -0.238 -13.462 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.330 0.205 -11.801 1.00 0.00 H new ATOM 1117 N GLN A 77 10.143 2.841 -13.007 1.00 0.00 N ATOM 1118 CA GLN A 77 9.030 3.657 -12.412 1.00 0.00 C ATOM 1119 C GLN A 77 7.622 3.165 -12.846 1.00 0.00 C ATOM 1120 O GLN A 77 7.381 2.891 -14.004 1.00 0.00 O ATOM 1121 CB GLN A 77 9.280 5.128 -12.832 1.00 0.00 C ATOM 1122 CG GLN A 77 9.740 5.177 -14.333 1.00 0.00 C ATOM 1123 CD GLN A 77 9.966 6.594 -14.837 1.00 0.00 C ATOM 1124 OE1 GLN A 77 10.913 6.896 -15.525 1.00 0.00 O ATOM 1125 NE2 GLN A 77 9.129 7.526 -14.540 1.00 0.00 N ATOM 0 H GLN A 77 9.899 2.368 -13.877 1.00 0.00 H new ATOM 0 HA GLN A 77 9.035 3.555 -11.327 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.370 5.714 -12.701 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.042 5.575 -12.193 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.662 4.606 -14.444 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.987 4.691 -14.954 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.316 7.316 -13.962 1.00 0.00 H new ATOM 0 HE22 GLN A 77 9.279 8.475 -14.883 1.00 0.00 H new ATOM 1134 N ILE A 78 6.731 3.074 -11.897 1.00 0.00 N ATOM 1135 CA ILE A 78 5.319 2.605 -12.142 1.00 0.00 C ATOM 1136 C ILE A 78 4.223 3.489 -11.493 1.00 0.00 C ATOM 1137 O ILE A 78 4.531 4.242 -10.580 1.00 0.00 O ATOM 1138 CB ILE A 78 5.286 1.186 -11.599 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.095 0.406 -12.210 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.194 1.196 -10.035 1.00 0.00 C ATOM 1141 CD1 ILE A 78 4.462 -0.136 -13.617 1.00 0.00 C ATOM 0 H ILE A 78 6.923 3.312 -10.924 1.00 0.00 H new ATOM 0 HA ILE A 78 5.084 2.665 -13.205 1.00 0.00 H new ATOM 0 HB ILE A 78 6.211 0.685 -11.882 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.821 -0.422 -11.556 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.224 1.058 -12.281 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.171 0.171 -9.665 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.061 1.711 -9.623 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.285 1.713 -9.727 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.613 -0.681 -14.030 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.713 0.697 -14.274 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.319 -0.805 -13.537 1.00 0.00 H new ATOM 1153 N THR A 79 2.998 3.377 -11.969 1.00 0.00 N ATOM 1154 CA THR A 79 1.870 4.187 -11.376 1.00 0.00 C ATOM 1155 C THR A 79 0.847 3.228 -10.782 1.00 0.00 C ATOM 1156 O THR A 79 0.301 2.341 -11.425 1.00 0.00 O ATOM 1157 CB THR A 79 1.117 5.060 -12.412 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.080 6.047 -12.684 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.009 5.939 -11.772 1.00 0.00 C ATOM 0 H THR A 79 2.730 2.763 -12.738 1.00 0.00 H new ATOM 0 HA THR A 79 2.322 4.850 -10.638 1.00 0.00 H new ATOM 0 HB THR A 79 0.709 4.431 -13.203 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.724 6.679 -13.343 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.482 6.527 -12.547 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.725 5.299 -11.282 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.455 6.609 -11.037 1.00 0.00 H new ATOM 1167 N ALA A 80 0.623 3.480 -9.529 1.00 0.00 N ATOM 1168 CA ALA A 80 -0.350 2.648 -8.767 1.00 0.00 C ATOM 1169 C ALA A 80 -1.543 3.521 -8.336 1.00 0.00 C ATOM 1170 O ALA A 80 -1.375 4.702 -8.159 1.00 0.00 O ATOM 1171 CB ALA A 80 0.432 2.069 -7.575 1.00 0.00 C ATOM 0 H ALA A 80 1.070 4.226 -8.995 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.770 1.834 -9.357 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.230 1.446 -6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.263 1.467 -7.943 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.818 2.884 -6.963 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.676 2.912 -8.176 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.952 3.560 -7.765 1.00 0.00 C ATOM 1179 C ARG A 81 -4.035 3.584 -6.228 1.00 0.00 C ATOM 1180 O ARG A 81 -3.551 2.661 -5.612 1.00 0.00 O ATOM 1181 CB ARG A 81 -5.059 2.696 -8.396 1.00 0.00 C ATOM 1182 CG ARG A 81 -6.484 3.214 -8.101 1.00 0.00 C ATOM 1183 CD ARG A 81 -6.864 4.448 -8.942 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.921 4.015 -10.386 1.00 0.00 N ATOM 1185 CZ ARG A 81 -6.367 4.690 -11.325 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -5.110 4.736 -11.346 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -7.088 5.282 -12.191 1.00 0.00 N ATOM 0 H ARG A 81 -2.776 1.908 -8.326 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.041 4.595 -8.095 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.910 2.659 -9.475 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.968 1.675 -8.026 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.201 2.416 -8.293 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.561 3.465 -7.043 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.827 4.847 -8.623 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.130 5.243 -8.809 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.417 3.156 -10.623 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.570 4.247 -10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.631 5.262 -12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.105 5.219 -12.137 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.649 5.819 -12.939 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.607 4.598 -5.642 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.727 4.660 -4.148 1.00 0.00 C ATOM 1203 C ILE A 82 -6.074 3.989 -3.816 1.00 0.00 C ATOM 1204 O ILE A 82 -7.082 4.616 -4.069 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.689 6.157 -3.722 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -3.222 6.643 -3.851 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -5.204 6.294 -2.264 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -3.119 8.183 -3.675 1.00 0.00 C ATOM 0 H ILE A 82 -5.003 5.398 -6.135 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.921 4.153 -3.617 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.332 6.767 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.605 6.147 -3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.827 6.359 -4.827 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.177 7.342 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.228 5.925 -2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.569 5.711 -1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.078 8.491 -3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.716 8.678 -4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.491 8.462 -2.689 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.078 2.791 -3.298 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.377 2.087 -2.960 1.00 0.00 C ATOM 1222 C VAL A 83 -7.543 1.690 -1.488 1.00 0.00 C ATOM 1223 O VAL A 83 -8.647 1.741 -0.967 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.502 0.812 -3.862 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -6.166 0.049 -3.843 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -8.587 -0.172 -3.324 1.00 0.00 C ATOM 0 H VAL A 83 -5.236 2.254 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.171 2.809 -3.151 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.773 1.148 -4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.246 -0.840 -4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.374 0.693 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.931 -0.247 -2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.644 -1.043 -3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.322 -0.490 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.555 0.329 -3.303 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.428 1.301 -0.914 1.00 0.00 N ATOM 1237 CA ASP A 84 -6.375 0.877 0.521 1.00 0.00 C ATOM 1238 C ASP A 84 -5.458 1.822 1.360 1.00 0.00 C ATOM 1239 O ASP A 84 -4.845 2.777 0.913 1.00 0.00 O ATOM 1240 CB ASP A 84 -5.806 -0.563 0.598 1.00 0.00 C ATOM 1241 CG ASP A 84 -6.385 -1.490 -0.458 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -7.588 -1.622 -0.424 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -5.592 -2.011 -1.222 1.00 0.00 O ATOM 0 H ASP A 84 -5.529 1.259 -1.395 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.385 0.921 0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.722 -0.526 0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.010 -0.975 1.586 1.00 0.00 H new ATOM 1248 N GLN A 85 -5.389 1.503 2.624 1.00 0.00 N ATOM 1249 CA GLN A 85 -4.555 2.294 3.590 1.00 0.00 C ATOM 1250 C GLN A 85 -3.405 1.458 4.178 1.00 0.00 C ATOM 1251 O GLN A 85 -3.662 0.442 4.798 1.00 0.00 O ATOM 1252 CB GLN A 85 -5.468 2.782 4.710 1.00 0.00 C ATOM 1253 CG GLN A 85 -6.541 3.758 4.144 1.00 0.00 C ATOM 1254 CD GLN A 85 -7.323 4.429 5.266 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -8.150 5.292 5.051 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -7.120 4.097 6.497 1.00 0.00 N ATOM 0 H GLN A 85 -5.883 0.714 3.041 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.101 3.132 3.061 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.955 1.932 5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.878 3.284 5.477 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.057 4.518 3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.226 3.212 3.495 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.435 3.377 6.725 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.645 4.555 7.242 1.00 0.00 H new ATOM 1265 N CYS A 86 -2.169 1.885 4.008 1.00 0.00 N ATOM 1266 CA CYS A 86 -1.065 1.053 4.584 1.00 0.00 C ATOM 1267 C CYS A 86 -0.907 1.449 6.059 1.00 0.00 C ATOM 1268 O CYS A 86 -1.320 2.514 6.480 1.00 0.00 O ATOM 1269 CB CYS A 86 0.262 1.305 3.733 1.00 0.00 C ATOM 1270 SG CYS A 86 1.596 2.429 4.239 1.00 0.00 S ATOM 0 H CYS A 86 -1.889 2.734 3.518 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.281 -0.014 4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.724 0.328 3.594 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.066 1.645 2.751 1.00 0.00 H new ATOM 1275 N ALA A 87 -0.318 0.562 6.812 1.00 0.00 N ATOM 1276 CA ALA A 87 -0.117 0.849 8.264 1.00 0.00 C ATOM 1277 C ALA A 87 1.193 1.645 8.444 1.00 0.00 C ATOM 1278 O ALA A 87 1.165 2.849 8.615 1.00 0.00 O ATOM 1279 CB ALA A 87 -0.092 -0.519 8.981 1.00 0.00 C ATOM 0 H ALA A 87 0.031 -0.341 6.491 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.912 1.461 8.690 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.053 -0.367 10.050 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.037 -1.035 8.813 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.726 -1.122 8.586 1.00 0.00 H new ATOM 1285 N ASN A 88 2.303 0.958 8.405 1.00 0.00 N ATOM 1286 CA ASN A 88 3.627 1.639 8.560 1.00 0.00 C ATOM 1287 C ASN A 88 4.673 1.113 7.531 1.00 0.00 C ATOM 1288 O ASN A 88 5.809 0.854 7.877 1.00 0.00 O ATOM 1289 CB ASN A 88 4.060 1.391 10.014 1.00 0.00 C ATOM 1290 CG ASN A 88 4.137 -0.108 10.242 1.00 0.00 C ATOM 1291 OD1 ASN A 88 3.164 -0.793 10.462 1.00 0.00 O ATOM 1292 ND2 ASN A 88 5.280 -0.695 10.188 1.00 0.00 N ATOM 0 H ASN A 88 2.353 -0.052 8.272 1.00 0.00 H new ATOM 0 HA ASN A 88 3.551 2.707 8.356 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.028 1.854 10.206 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.348 1.844 10.704 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.343 -1.703 10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 88 6.124 -0.152 10.005 1.00 0.00 H new ATOM 1299 N GLY A 89 4.259 0.970 6.295 1.00 0.00 N ATOM 1300 CA GLY A 89 5.176 0.467 5.196 1.00 0.00 C ATOM 1301 C GLY A 89 4.702 -0.800 4.440 1.00 0.00 C ATOM 1302 O GLY A 89 4.519 -1.857 5.019 1.00 0.00 O ATOM 0 H GLY A 89 3.310 1.181 5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.313 1.268 4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 89 6.153 0.261 5.632 1.00 0.00 H new ATOM 1306 N GLY A 90 4.532 -0.645 3.149 1.00 0.00 N ATOM 1307 CA GLY A 90 4.072 -1.776 2.251 1.00 0.00 C ATOM 1308 C GLY A 90 2.989 -1.234 1.317 1.00 0.00 C ATOM 1309 O GLY A 90 1.852 -1.091 1.713 1.00 0.00 O ATOM 0 H GLY A 90 4.694 0.235 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.910 -2.168 1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.682 -2.600 2.848 1.00 0.00 H new ATOM 1313 N LEU A 91 3.393 -0.950 0.110 1.00 0.00 N ATOM 1314 CA LEU A 91 2.492 -0.392 -0.957 1.00 0.00 C ATOM 1315 C LEU A 91 2.333 -1.282 -2.200 1.00 0.00 C ATOM 1316 O LEU A 91 2.567 -0.848 -3.311 1.00 0.00 O ATOM 1317 CB LEU A 91 3.065 1.008 -1.363 1.00 0.00 C ATOM 1318 CG LEU A 91 4.612 0.908 -1.598 1.00 0.00 C ATOM 1319 CD1 LEU A 91 5.068 1.983 -2.590 1.00 0.00 C ATOM 1320 CD2 LEU A 91 5.330 1.219 -0.264 1.00 0.00 C ATOM 0 H LEU A 91 4.355 -1.086 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 91 1.487 -0.326 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.574 1.362 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.854 1.737 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 91 4.844 -0.088 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.144 1.903 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.554 1.843 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.831 2.970 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.409 1.154 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.067 2.225 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.021 0.498 0.492 1.00 0.00 H new ATOM 1332 N ASP A 92 1.945 -2.506 -1.973 1.00 0.00 N ATOM 1333 CA ASP A 92 1.734 -3.507 -3.072 1.00 0.00 C ATOM 1334 C ASP A 92 0.526 -4.499 -2.883 1.00 0.00 C ATOM 1335 O ASP A 92 0.164 -4.840 -1.773 1.00 0.00 O ATOM 1336 CB ASP A 92 3.100 -4.227 -3.175 1.00 0.00 C ATOM 1337 CG ASP A 92 3.492 -4.969 -1.889 1.00 0.00 C ATOM 1338 OD1 ASP A 92 3.300 -4.443 -0.784 1.00 0.00 O ATOM 1339 OD2 ASP A 92 3.992 -6.054 -2.147 1.00 0.00 O ATOM 0 H ASP A 92 1.757 -2.872 -1.039 1.00 0.00 H new ATOM 0 HA ASP A 92 1.434 -3.005 -3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.067 -4.937 -4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.872 -3.495 -3.414 1.00 0.00 H new ATOM 1344 N LEU A 93 -0.102 -4.930 -3.967 1.00 0.00 N ATOM 1345 CA LEU A 93 -1.252 -5.904 -3.819 1.00 0.00 C ATOM 1346 C LEU A 93 -1.023 -7.321 -4.388 1.00 0.00 C ATOM 1347 O LEU A 93 -1.007 -8.200 -3.544 1.00 0.00 O ATOM 1348 CB LEU A 93 -2.567 -5.312 -4.471 1.00 0.00 C ATOM 1349 CG LEU A 93 -3.427 -4.626 -3.366 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -2.658 -3.469 -2.748 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -4.723 -4.109 -3.969 1.00 0.00 C ATOM 0 H LEU A 93 0.124 -4.658 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.346 -6.026 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.309 -4.591 -5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.138 -6.107 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.654 -5.359 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.268 -2.997 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.736 -3.842 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.419 -2.738 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.320 -3.631 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.497 -3.384 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.283 -4.941 -4.396 1.00 0.00 H new ATOM 1363 N ASP A 94 -0.875 -7.587 -5.674 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.668 -9.008 -6.028 1.00 0.00 C ATOM 1365 C ASP A 94 0.840 -9.304 -6.009 1.00 0.00 C ATOM 1366 O ASP A 94 1.360 -9.900 -5.091 1.00 0.00 O ATOM 1367 CB ASP A 94 -1.362 -9.193 -7.396 1.00 0.00 C ATOM 1368 CG ASP A 94 -1.456 -10.698 -7.643 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -0.443 -11.264 -7.994 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -2.565 -11.159 -7.441 1.00 0.00 O ATOM 0 H ASP A 94 -0.889 -6.916 -6.442 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.101 -9.724 -5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.353 -8.739 -7.391 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.792 -8.706 -8.188 1.00 0.00 H new ATOM 1375 N TRP A 95 1.484 -8.845 -7.046 1.00 0.00 N ATOM 1376 CA TRP A 95 2.958 -9.032 -7.205 1.00 0.00 C ATOM 1377 C TRP A 95 3.457 -8.372 -8.489 1.00 0.00 C ATOM 1378 O TRP A 95 4.161 -7.381 -8.490 1.00 0.00 O ATOM 1379 CB TRP A 95 3.236 -10.562 -7.237 1.00 0.00 C ATOM 1380 CG TRP A 95 4.698 -10.951 -6.919 1.00 0.00 C ATOM 1381 CD1 TRP A 95 5.346 -10.660 -5.749 1.00 0.00 C ATOM 1382 CD2 TRP A 95 5.531 -11.658 -7.716 1.00 0.00 C ATOM 1383 NE1 TRP A 95 6.537 -11.215 -5.910 1.00 0.00 N ATOM 1384 CE2 TRP A 95 6.739 -11.838 -7.065 1.00 0.00 C ATOM 1385 CE3 TRP A 95 5.341 -12.181 -8.987 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 7.754 -12.539 -7.680 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 6.360 -12.884 -9.604 1.00 0.00 C ATOM 1388 CH2 TRP A 95 7.566 -13.063 -8.950 1.00 0.00 C ATOM 0 H TRP A 95 1.041 -8.335 -7.810 1.00 0.00 H new ATOM 0 HA TRP A 95 3.487 -8.563 -6.375 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.578 -11.054 -6.521 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.977 -10.946 -8.224 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.974 -10.109 -4.898 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.257 -11.167 -5.189 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.398 -12.039 -9.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 8.697 -12.680 -7.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.215 -13.292 -10.593 1.00 0.00 H new ATOM 0 HH2 TRP A 95 8.363 -13.612 -9.430 1.00 0.00 H new ATOM 1399 N ASP A 96 3.001 -8.948 -9.562 1.00 0.00 N ATOM 1400 CA ASP A 96 3.369 -8.517 -10.951 1.00 0.00 C ATOM 1401 C ASP A 96 2.787 -7.187 -11.395 1.00 0.00 C ATOM 1402 O ASP A 96 2.960 -6.731 -12.511 1.00 0.00 O ATOM 1403 CB ASP A 96 2.944 -9.696 -11.866 1.00 0.00 C ATOM 1404 CG ASP A 96 1.467 -10.051 -11.651 1.00 0.00 C ATOM 1405 OD1 ASP A 96 1.185 -10.612 -10.607 1.00 0.00 O ATOM 1406 OD2 ASP A 96 0.724 -9.725 -12.558 1.00 0.00 O ATOM 0 H ASP A 96 2.357 -9.739 -9.538 1.00 0.00 H new ATOM 0 HA ASP A 96 4.439 -8.314 -11.003 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.110 -9.430 -12.910 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.566 -10.567 -11.657 1.00 0.00 H new ATOM 1411 N THR A 97 2.089 -6.567 -10.505 1.00 0.00 N ATOM 1412 CA THR A 97 1.480 -5.254 -10.819 1.00 0.00 C ATOM 1413 C THR A 97 2.460 -4.106 -10.458 1.00 0.00 C ATOM 1414 O THR A 97 2.963 -3.448 -11.351 1.00 0.00 O ATOM 1415 CB THR A 97 0.148 -5.212 -10.033 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.556 -5.153 -8.683 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.539 -6.609 -10.043 1.00 0.00 C ATOM 0 H THR A 97 1.910 -6.913 -9.562 1.00 0.00 H new ATOM 0 HA THR A 97 1.277 -5.120 -11.882 1.00 0.00 H new ATOM 0 HB THR A 97 -0.488 -4.420 -10.429 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.234 -5.121 -8.104 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.474 -6.559 -9.485 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.746 -6.906 -11.071 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.121 -7.342 -9.580 1.00 0.00 H new ATOM 1425 N VAL A 98 2.682 -3.923 -9.172 1.00 0.00 N ATOM 1426 CA VAL A 98 3.585 -2.878 -8.617 1.00 0.00 C ATOM 1427 C VAL A 98 5.071 -3.223 -8.387 1.00 0.00 C ATOM 1428 O VAL A 98 5.923 -2.844 -9.170 1.00 0.00 O ATOM 1429 CB VAL A 98 2.927 -2.399 -7.291 1.00 0.00 C ATOM 1430 CG1 VAL A 98 3.716 -1.203 -6.714 1.00 0.00 C ATOM 1431 CG2 VAL A 98 1.521 -1.930 -7.608 1.00 0.00 C ATOM 0 H VAL A 98 2.242 -4.496 -8.452 1.00 0.00 H new ATOM 0 HA VAL A 98 3.667 -2.116 -9.392 1.00 0.00 H new ATOM 0 HB VAL A 98 2.921 -3.215 -6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.249 -0.873 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.744 -1.507 -6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.712 -0.384 -7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.037 -1.588 -6.693 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.564 -1.110 -8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.950 -2.755 -8.035 1.00 0.00 H new ATOM 1441 N PHE A 99 5.275 -3.952 -7.306 1.00 0.00 N ATOM 1442 CA PHE A 99 6.640 -4.410 -6.834 1.00 0.00 C ATOM 1443 C PHE A 99 7.504 -5.116 -7.875 1.00 0.00 C ATOM 1444 O PHE A 99 8.195 -4.428 -8.590 1.00 0.00 O ATOM 1445 CB PHE A 99 6.438 -5.323 -5.570 1.00 0.00 C ATOM 1446 CG PHE A 99 7.816 -5.621 -4.932 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.495 -4.586 -4.314 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.409 -6.877 -4.967 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.736 -4.793 -3.746 1.00 0.00 C ATOM 1450 CE2 PHE A 99 9.652 -7.081 -4.400 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.312 -6.036 -3.791 1.00 0.00 C ATOM 0 H PHE A 99 4.515 -4.264 -6.701 1.00 0.00 H new ATOM 0 HA PHE A 99 7.205 -3.507 -6.603 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.789 -4.827 -4.848 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.946 -6.254 -5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.048 -3.603 -4.275 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.894 -7.700 -5.441 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.253 -3.975 -3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.107 -8.060 -4.434 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.284 -6.196 -3.349 1.00 0.00 H new ATOM 1461 N THR A 100 7.487 -6.419 -7.985 1.00 0.00 N ATOM 1462 CA THR A 100 8.326 -7.151 -9.006 1.00 0.00 C ATOM 1463 C THR A 100 8.684 -6.463 -10.302 1.00 0.00 C ATOM 1464 O THR A 100 9.743 -6.621 -10.866 1.00 0.00 O ATOM 1465 CB THR A 100 7.644 -8.482 -9.369 1.00 0.00 C ATOM 1466 OG1 THR A 100 6.444 -8.596 -8.625 1.00 0.00 O ATOM 1467 CG2 THR A 100 8.382 -9.646 -8.965 1.00 0.00 C ATOM 0 H THR A 100 6.916 -7.029 -7.400 1.00 0.00 H new ATOM 0 HA THR A 100 9.278 -7.245 -8.483 1.00 0.00 H new ATOM 0 HB THR A 100 7.530 -8.455 -10.453 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.815 -7.900 -8.909 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.835 -10.543 -9.257 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.359 -9.643 -9.448 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.513 -9.637 -7.883 1.00 0.00 H new ATOM 1475 N LYS A 101 7.752 -5.686 -10.736 1.00 0.00 N ATOM 1476 CA LYS A 101 7.891 -4.924 -12.000 1.00 0.00 C ATOM 1477 C LYS A 101 8.994 -3.850 -12.015 1.00 0.00 C ATOM 1478 O LYS A 101 9.619 -3.609 -13.030 1.00 0.00 O ATOM 1479 CB LYS A 101 6.549 -4.278 -12.267 1.00 0.00 C ATOM 1480 CG LYS A 101 5.523 -5.400 -12.489 1.00 0.00 C ATOM 1481 CD LYS A 101 5.428 -5.715 -14.004 1.00 0.00 C ATOM 1482 CE LYS A 101 4.678 -4.575 -14.684 1.00 0.00 C ATOM 1483 NZ LYS A 101 3.320 -4.525 -14.066 1.00 0.00 N ATOM 0 H LYS A 101 6.866 -5.539 -10.253 1.00 0.00 H new ATOM 0 HA LYS A 101 8.197 -5.631 -12.771 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.253 -3.651 -11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.604 -3.632 -13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.818 -6.293 -11.938 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.548 -5.098 -12.107 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.424 -5.823 -14.433 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.908 -6.660 -14.164 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.202 -3.629 -14.544 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.608 -4.745 -15.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.640 -4.139 -14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.028 -5.485 -13.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.344 -3.916 -13.223 1.00 0.00 H new ATOM 1497 N ILE A 102 9.206 -3.236 -10.887 1.00 0.00 N ATOM 1498 CA ILE A 102 10.251 -2.163 -10.788 1.00 0.00 C ATOM 1499 C ILE A 102 11.647 -2.695 -10.403 1.00 0.00 C ATOM 1500 O ILE A 102 12.509 -1.950 -9.979 1.00 0.00 O ATOM 1501 CB ILE A 102 9.742 -1.090 -9.759 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.364 -1.752 -8.414 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.474 -0.395 -10.343 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.269 -0.700 -7.297 1.00 0.00 C ATOM 0 H ILE A 102 8.702 -3.427 -10.021 1.00 0.00 H new ATOM 0 HA ILE A 102 10.387 -1.720 -11.774 1.00 0.00 H new ATOM 0 HB ILE A 102 10.539 -0.367 -9.586 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.410 -2.271 -8.514 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.109 -2.503 -8.151 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.111 0.352 -9.637 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.726 0.089 -11.286 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.697 -1.140 -10.514 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.002 -1.188 -6.360 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.231 -0.200 -7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.506 0.035 -7.554 1.00 0.00 H new ATOM 1516 N ASP A 103 11.846 -3.973 -10.566 1.00 0.00 N ATOM 1517 CA ASP A 103 13.163 -4.592 -10.230 1.00 0.00 C ATOM 1518 C ASP A 103 13.677 -5.364 -11.473 1.00 0.00 C ATOM 1519 O ASP A 103 13.162 -6.415 -11.806 1.00 0.00 O ATOM 1520 CB ASP A 103 12.930 -5.530 -8.996 1.00 0.00 C ATOM 1521 CG ASP A 103 14.240 -5.963 -8.297 1.00 0.00 C ATOM 1522 OD1 ASP A 103 15.140 -6.232 -9.075 1.00 0.00 O ATOM 1523 OD2 ASP A 103 14.317 -6.033 -7.072 1.00 0.00 O ATOM 0 H ASP A 103 11.146 -4.624 -10.922 1.00 0.00 H new ATOM 0 HA ASP A 103 13.921 -3.853 -9.971 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.294 -5.017 -8.274 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.390 -6.419 -9.322 1.00 0.00 H new ATOM 1528 N THR A 104 14.671 -4.820 -12.131 1.00 0.00 N ATOM 1529 CA THR A 104 15.277 -5.457 -13.349 1.00 0.00 C ATOM 1530 C THR A 104 15.547 -6.955 -13.185 1.00 0.00 C ATOM 1531 O THR A 104 15.763 -7.654 -14.153 1.00 0.00 O ATOM 1532 CB THR A 104 16.597 -4.729 -13.668 1.00 0.00 C ATOM 1533 OG1 THR A 104 17.180 -4.430 -12.404 1.00 0.00 O ATOM 1534 CG2 THR A 104 16.344 -3.374 -14.321 1.00 0.00 C ATOM 0 H THR A 104 15.102 -3.934 -11.868 1.00 0.00 H new ATOM 0 HA THR A 104 14.557 -5.363 -14.162 1.00 0.00 H new ATOM 0 HB THR A 104 17.204 -5.349 -14.328 1.00 0.00 H new ATOM 0 HG1 THR A 104 18.031 -3.964 -12.539 1.00 0.00 H new ATOM 0 HG21 THR A 104 17.297 -2.888 -14.532 1.00 0.00 H new ATOM 0 HG22 THR A 104 15.795 -3.516 -15.252 1.00 0.00 H new ATOM 0 HG23 THR A 104 15.760 -2.748 -13.646 1.00 0.00 H new ATOM 1542 N ASN A 105 15.551 -7.397 -11.951 1.00 0.00 N ATOM 1543 CA ASN A 105 15.800 -8.844 -11.638 1.00 0.00 C ATOM 1544 C ASN A 105 15.042 -9.425 -10.408 1.00 0.00 C ATOM 1545 O ASN A 105 14.324 -10.398 -10.527 1.00 0.00 O ATOM 1546 CB ASN A 105 17.354 -8.986 -11.518 1.00 0.00 C ATOM 1547 CG ASN A 105 18.114 -7.841 -10.845 1.00 0.00 C ATOM 1548 OD1 ASN A 105 19.321 -7.827 -10.850 1.00 0.00 O ATOM 1549 ND2 ASN A 105 17.568 -6.838 -10.246 1.00 0.00 N ATOM 0 H ASN A 105 15.390 -6.809 -11.133 1.00 0.00 H new ATOM 0 HA ASN A 105 15.385 -9.454 -12.440 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.567 -9.902 -10.967 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.759 -9.116 -12.522 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.152 -6.115 -9.825 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.552 -6.767 -10.193 1.00 0.00 H new ATOM 1556 N GLY A 106 15.225 -8.793 -9.283 1.00 0.00 N ATOM 1557 CA GLY A 106 14.584 -9.196 -7.986 1.00 0.00 C ATOM 1558 C GLY A 106 15.537 -8.984 -6.809 1.00 0.00 C ATOM 1559 O GLY A 106 15.643 -9.829 -5.937 1.00 0.00 O ATOM 0 H GLY A 106 15.823 -7.971 -9.201 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.675 -8.615 -7.831 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.288 -10.244 -8.034 1.00 0.00 H new ATOM 1563 N ILE A 107 16.186 -7.844 -6.823 1.00 0.00 N ATOM 1564 CA ILE A 107 17.152 -7.494 -5.749 1.00 0.00 C ATOM 1565 C ILE A 107 16.435 -7.593 -4.412 1.00 0.00 C ATOM 1566 O ILE A 107 16.920 -8.239 -3.505 1.00 0.00 O ATOM 1567 CB ILE A 107 17.701 -6.042 -5.961 1.00 0.00 C ATOM 1568 CG1 ILE A 107 18.339 -5.852 -7.360 1.00 0.00 C ATOM 1569 CG2 ILE A 107 18.784 -5.726 -4.895 1.00 0.00 C ATOM 1570 CD1 ILE A 107 19.254 -7.053 -7.746 1.00 0.00 C ATOM 0 H ILE A 107 16.081 -7.134 -7.548 1.00 0.00 H new ATOM 0 HA ILE A 107 17.998 -8.181 -5.773 1.00 0.00 H new ATOM 0 HB ILE A 107 16.849 -5.368 -5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 107 17.552 -5.740 -8.106 1.00 0.00 H new ATOM 0 HG13 ILE A 107 18.923 -4.932 -7.371 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.161 -4.715 -5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 107 18.348 -5.803 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.605 -6.437 -4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 107 19.682 -6.881 -8.734 1.00 0.00 H new ATOM 0 HD12 ILE A 107 20.056 -7.149 -7.014 1.00 0.00 H new ATOM 0 HD13 ILE A 107 18.664 -7.970 -7.760 1.00 0.00 H new ATOM 1582 N GLY A 108 15.291 -6.949 -4.359 1.00 0.00 N ATOM 1583 CA GLY A 108 14.458 -6.952 -3.101 1.00 0.00 C ATOM 1584 C GLY A 108 13.752 -8.300 -2.946 1.00 0.00 C ATOM 1585 O GLY A 108 13.677 -8.837 -1.855 1.00 0.00 O ATOM 0 H GLY A 108 14.893 -6.418 -5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.092 -6.762 -2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.722 -6.149 -3.140 1.00 0.00 H new ATOM 1589 N TYR A 109 13.246 -8.791 -4.052 1.00 0.00 N ATOM 1590 CA TYR A 109 12.521 -10.119 -4.073 1.00 0.00 C ATOM 1591 C TYR A 109 13.164 -11.148 -3.126 1.00 0.00 C ATOM 1592 O TYR A 109 12.532 -11.673 -2.229 1.00 0.00 O ATOM 1593 CB TYR A 109 12.526 -10.670 -5.525 1.00 0.00 C ATOM 1594 CG TYR A 109 11.972 -12.113 -5.603 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.777 -12.467 -5.002 1.00 0.00 C ATOM 1596 CD2 TYR A 109 12.677 -13.083 -6.297 1.00 0.00 C ATOM 1597 CE1 TYR A 109 10.302 -13.762 -5.095 1.00 0.00 C ATOM 1598 CE2 TYR A 109 12.195 -14.379 -6.386 1.00 0.00 C ATOM 1599 CZ TYR A 109 11.005 -14.720 -5.786 1.00 0.00 C ATOM 1600 OH TYR A 109 10.507 -16.001 -5.870 1.00 0.00 O ATOM 0 H TYR A 109 13.301 -8.327 -4.959 1.00 0.00 H new ATOM 0 HA TYR A 109 11.501 -9.954 -3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.928 -10.018 -6.162 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.543 -10.651 -5.916 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.211 -11.726 -4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 109 13.612 -12.826 -6.773 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.368 -14.024 -4.620 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.756 -15.125 -6.929 1.00 0.00 H new ATOM 0 HH TYR A 109 11.121 -16.557 -6.393 1.00 0.00 H new ATOM 1610 N GLN A 110 14.431 -11.403 -3.351 1.00 0.00 N ATOM 1611 CA GLN A 110 15.151 -12.397 -2.485 1.00 0.00 C ATOM 1612 C GLN A 110 15.785 -11.731 -1.234 1.00 0.00 C ATOM 1613 O GLN A 110 16.924 -11.953 -0.878 1.00 0.00 O ATOM 1614 CB GLN A 110 16.234 -13.110 -3.378 1.00 0.00 C ATOM 1615 CG GLN A 110 17.284 -12.111 -3.975 1.00 0.00 C ATOM 1616 CD GLN A 110 18.478 -12.891 -4.547 1.00 0.00 C ATOM 1617 OE1 GLN A 110 19.248 -13.509 -3.849 1.00 0.00 O ATOM 1618 NE2 GLN A 110 18.715 -12.926 -5.817 1.00 0.00 N ATOM 0 H GLN A 110 14.993 -10.974 -4.086 1.00 0.00 H new ATOM 0 HA GLN A 110 14.443 -13.129 -2.097 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.752 -13.861 -2.782 1.00 0.00 H new ATOM 0 HB3 GLN A 110 15.737 -13.637 -4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 110 16.823 -11.509 -4.758 1.00 0.00 H new ATOM 0 HG3 GLN A 110 17.625 -11.422 -3.202 1.00 0.00 H new ATOM 0 HE21 GLN A 110 18.105 -12.426 -6.464 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.512 -13.453 -6.173 1.00 0.00 H new ATOM 1627 N GLN A 111 14.998 -10.903 -0.596 1.00 0.00 N ATOM 1628 CA GLN A 111 15.473 -10.192 0.640 1.00 0.00 C ATOM 1629 C GLN A 111 14.338 -9.787 1.610 1.00 0.00 C ATOM 1630 O GLN A 111 14.433 -10.005 2.802 1.00 0.00 O ATOM 1631 CB GLN A 111 16.274 -8.967 0.170 1.00 0.00 C ATOM 1632 CG GLN A 111 16.953 -8.330 1.411 1.00 0.00 C ATOM 1633 CD GLN A 111 17.879 -7.207 0.981 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.936 -7.395 0.427 1.00 0.00 O ATOM 1635 NE2 GLN A 111 17.537 -5.984 1.204 1.00 0.00 N ATOM 0 H GLN A 111 14.042 -10.685 -0.876 1.00 0.00 H new ATOM 0 HA GLN A 111 16.090 -10.875 1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.023 -9.261 -0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.617 -8.246 -0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 111 16.194 -7.945 2.093 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.516 -9.088 1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.653 -5.778 1.669 1.00 0.00 H new ATOM 0 HE22 GLN A 111 18.151 -5.222 0.915 1.00 0.00 H new ATOM 1644 N GLY A 112 13.287 -9.207 1.078 1.00 0.00 N ATOM 1645 CA GLY A 112 12.128 -8.780 1.964 1.00 0.00 C ATOM 1646 C GLY A 112 11.612 -7.369 1.742 1.00 0.00 C ATOM 1647 O GLY A 112 10.423 -7.108 1.804 1.00 0.00 O ATOM 0 H GLY A 112 13.171 -9.008 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.303 -9.476 1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.437 -8.874 3.005 1.00 0.00 H new ATOM 1651 N HIS A 113 12.547 -6.495 1.534 1.00 0.00 N ATOM 1652 CA HIS A 113 12.188 -5.059 1.293 1.00 0.00 C ATOM 1653 C HIS A 113 13.136 -4.429 0.259 1.00 0.00 C ATOM 1654 O HIS A 113 14.169 -4.991 -0.053 1.00 0.00 O ATOM 1655 CB HIS A 113 12.273 -4.247 2.605 1.00 0.00 C ATOM 1656 CG HIS A 113 12.686 -5.048 3.808 1.00 0.00 C ATOM 1657 ND1 HIS A 113 12.035 -6.061 4.251 1.00 0.00 N ATOM 1658 CD2 HIS A 113 13.745 -4.901 4.653 1.00 0.00 C ATOM 1659 CE1 HIS A 113 12.639 -6.518 5.305 1.00 0.00 C ATOM 1660 NE2 HIS A 113 13.713 -5.822 5.589 1.00 0.00 N ATOM 0 H HIS A 113 13.546 -6.702 1.518 1.00 0.00 H new ATOM 0 HA HIS A 113 11.166 -5.034 0.915 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.982 -3.431 2.467 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.301 -3.795 2.801 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.503 -4.136 4.566 1.00 0.00 H new ATOM 0 HE1 HIS A 113 12.298 -7.368 5.878 1.00 0.00 H new ATOM 0 HE2 HIS A 113 14.370 -5.963 6.357 1.00 0.00 H new ATOM 1668 N LEU A 114 12.758 -3.278 -0.233 1.00 0.00 N ATOM 1669 CA LEU A 114 13.564 -2.516 -1.257 1.00 0.00 C ATOM 1670 C LEU A 114 13.719 -1.016 -0.900 1.00 0.00 C ATOM 1671 O LEU A 114 13.074 -0.524 0.010 1.00 0.00 O ATOM 1672 CB LEU A 114 12.811 -2.739 -2.582 1.00 0.00 C ATOM 1673 CG LEU A 114 13.436 -2.076 -3.830 1.00 0.00 C ATOM 1674 CD1 LEU A 114 14.801 -2.701 -4.157 1.00 0.00 C ATOM 1675 CD2 LEU A 114 12.494 -2.447 -4.982 1.00 0.00 C ATOM 0 H LEU A 114 11.893 -2.811 0.038 1.00 0.00 H new ATOM 0 HA LEU A 114 14.593 -2.871 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.739 -3.812 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 114 11.793 -2.366 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 114 13.565 -1.005 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.221 -2.218 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.476 -2.563 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 114 14.676 -3.766 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 114 12.866 -2.014 -5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 114 12.449 -3.532 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 114 11.496 -2.060 -4.775 1.00 0.00 H new ATOM 1687 N ASN A 115 14.573 -0.322 -1.621 1.00 0.00 N ATOM 1688 CA ASN A 115 14.803 1.146 -1.380 1.00 0.00 C ATOM 1689 C ASN A 115 14.285 1.914 -2.639 1.00 0.00 C ATOM 1690 O ASN A 115 14.892 1.934 -3.698 1.00 0.00 O ATOM 1691 CB ASN A 115 16.302 1.367 -1.167 1.00 0.00 C ATOM 1692 CG ASN A 115 16.504 2.759 -0.574 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.923 3.732 -0.985 1.00 0.00 O ATOM 1694 ND2 ASN A 115 17.312 2.975 0.405 1.00 0.00 N ATOM 0 H ASN A 115 15.130 -0.716 -2.379 1.00 0.00 H new ATOM 0 HA ASN A 115 14.274 1.508 -0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.706 0.607 -0.498 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.837 1.276 -2.112 1.00 0.00 H new ATOM 0 HD21 ASN A 115 17.423 3.919 0.776 1.00 0.00 H new ATOM 0 HD22 ASN A 115 17.841 2.203 0.809 1.00 0.00 H new ATOM 1701 N VAL A 116 13.142 2.511 -2.417 1.00 0.00 N ATOM 1702 CA VAL A 116 12.441 3.302 -3.486 1.00 0.00 C ATOM 1703 C VAL A 116 12.002 4.738 -3.058 1.00 0.00 C ATOM 1704 O VAL A 116 12.090 5.135 -1.904 1.00 0.00 O ATOM 1705 CB VAL A 116 11.190 2.459 -3.940 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.519 0.955 -4.096 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.080 2.567 -2.888 1.00 0.00 C ATOM 0 H VAL A 116 12.652 2.486 -1.523 1.00 0.00 H new ATOM 0 HA VAL A 116 13.150 3.467 -4.297 1.00 0.00 H new ATOM 0 HB VAL A 116 10.878 2.863 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.624 0.418 -4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.300 0.829 -4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.865 0.557 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.218 1.982 -3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.444 2.185 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.788 3.611 -2.773 1.00 0.00 H new ATOM 1717 N ASN A 117 11.518 5.446 -4.053 1.00 0.00 N ATOM 1718 CA ASN A 117 11.022 6.861 -3.909 1.00 0.00 C ATOM 1719 C ASN A 117 9.602 6.970 -4.462 1.00 0.00 C ATOM 1720 O ASN A 117 9.241 6.214 -5.345 1.00 0.00 O ATOM 1721 CB ASN A 117 11.917 7.785 -4.708 1.00 0.00 C ATOM 1722 CG ASN A 117 13.284 7.606 -4.165 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.746 8.356 -3.345 1.00 0.00 O ATOM 1724 ND2 ASN A 117 13.954 6.596 -4.601 1.00 0.00 N ATOM 0 H ASN A 117 11.443 5.085 -5.004 1.00 0.00 H new ATOM 0 HA ASN A 117 11.032 7.137 -2.855 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.884 7.538 -5.769 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.592 8.821 -4.612 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.896 6.419 -4.251 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.543 5.973 -5.296 1.00 0.00 H new ATOM 1731 N TYR A 118 8.827 7.895 -3.963 1.00 0.00 N ATOM 1732 CA TYR A 118 7.441 8.015 -4.499 1.00 0.00 C ATOM 1733 C TYR A 118 6.875 9.429 -4.369 1.00 0.00 C ATOM 1734 O TYR A 118 7.286 10.222 -3.538 1.00 0.00 O ATOM 1735 CB TYR A 118 6.574 6.967 -3.760 1.00 0.00 C ATOM 1736 CG TYR A 118 6.262 7.274 -2.285 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.411 8.317 -1.944 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.810 6.490 -1.279 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.113 8.560 -0.622 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.501 6.747 0.048 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.654 7.781 0.363 1.00 0.00 C ATOM 1742 OH TYR A 118 5.324 8.080 1.661 1.00 0.00 O ATOM 0 H TYR A 118 9.083 8.555 -3.229 1.00 0.00 H new ATOM 0 HA TYR A 118 7.442 7.820 -5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.631 6.860 -4.296 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.081 6.003 -3.811 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.982 8.938 -2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.478 5.679 -1.530 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.448 9.370 -0.362 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.925 6.136 0.831 1.00 0.00 H new ATOM 0 HH TYR A 118 5.772 7.452 2.265 1.00 0.00 H new ATOM 1752 N GLN A 119 5.931 9.712 -5.214 1.00 0.00 N ATOM 1753 CA GLN A 119 5.266 11.042 -5.235 1.00 0.00 C ATOM 1754 C GLN A 119 3.768 10.894 -5.499 1.00 0.00 C ATOM 1755 O GLN A 119 3.402 10.144 -6.396 1.00 0.00 O ATOM 1756 CB GLN A 119 5.954 11.870 -6.346 1.00 0.00 C ATOM 1757 CG GLN A 119 6.594 13.151 -5.755 1.00 0.00 C ATOM 1758 CD GLN A 119 5.576 14.185 -5.268 1.00 0.00 C ATOM 1759 OE1 GLN A 119 5.940 15.173 -4.682 1.00 0.00 O ATOM 1760 NE2 GLN A 119 4.298 14.081 -5.443 1.00 0.00 N ATOM 0 H GLN A 119 5.581 9.057 -5.913 1.00 0.00 H new ATOM 0 HA GLN A 119 5.363 11.543 -4.272 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.719 11.267 -6.835 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.225 12.140 -7.110 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.240 12.872 -4.923 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.230 13.610 -6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 119 3.914 13.272 -5.931 1.00 0.00 H new ATOM 0 HE22 GLN A 119 3.674 14.808 -5.093 1.00 0.00 H new ATOM 1769 N PHE A 120 2.949 11.579 -4.728 1.00 0.00 N ATOM 1770 CA PHE A 120 1.486 11.421 -5.043 1.00 0.00 C ATOM 1771 C PHE A 120 1.310 11.962 -6.497 1.00 0.00 C ATOM 1772 O PHE A 120 1.870 12.983 -6.852 1.00 0.00 O ATOM 1773 CB PHE A 120 0.654 12.230 -4.012 1.00 0.00 C ATOM 1774 CG PHE A 120 0.231 11.283 -2.861 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.190 10.547 -2.187 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -1.100 11.138 -2.489 1.00 0.00 C ATOM 1777 CE1 PHE A 120 0.834 9.685 -1.173 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.450 10.273 -1.472 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.487 9.546 -0.814 1.00 0.00 C ATOM 0 H PHE A 120 3.200 12.194 -3.954 1.00 0.00 H new ATOM 0 HA PHE A 120 1.143 10.388 -4.982 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.242 13.061 -3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.226 12.659 -4.491 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.230 10.650 -2.459 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.865 11.705 -2.998 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.594 9.116 -0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.487 10.167 -1.191 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.766 8.869 -0.020 1.00 0.00 H new ATOM 1789 N VAL A 121 0.541 11.245 -7.280 1.00 0.00 N ATOM 1790 CA VAL A 121 0.277 11.605 -8.723 1.00 0.00 C ATOM 1791 C VAL A 121 -1.154 11.360 -9.279 1.00 0.00 C ATOM 1792 O VAL A 121 -2.031 10.776 -8.668 1.00 0.00 O ATOM 1793 CB VAL A 121 1.392 10.798 -9.500 1.00 0.00 C ATOM 1794 CG1 VAL A 121 0.828 9.814 -10.551 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.304 11.780 -10.290 1.00 0.00 C ATOM 0 H VAL A 121 0.067 10.395 -6.974 1.00 0.00 H new ATOM 0 HA VAL A 121 0.325 12.687 -8.850 1.00 0.00 H new ATOM 0 HB VAL A 121 1.927 10.240 -8.731 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.651 9.296 -11.044 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.184 9.085 -10.059 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.251 10.366 -11.293 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.070 11.216 -10.823 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.702 12.340 -11.005 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.780 12.473 -9.596 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.309 11.872 -10.474 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.617 11.732 -11.199 1.00 0.00 C ATOM 1807 C ASP A 122 -2.560 10.410 -12.038 1.00 0.00 C ATOM 1808 O ASP A 122 -1.500 9.915 -12.355 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.821 13.000 -12.128 1.00 0.00 C ATOM 1810 CG ASP A 122 -4.255 13.088 -12.665 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.910 12.073 -12.847 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -4.671 14.215 -12.889 1.00 0.00 O ATOM 0 H ASP A 122 -0.587 12.382 -10.983 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.459 11.679 -10.508 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.587 13.904 -11.566 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.122 12.955 -12.963 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.666 9.837 -12.416 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.583 8.576 -13.196 1.00 0.00 C ATOM 1819 C CYS A 123 -3.527 8.857 -14.677 1.00 0.00 C ATOM 1820 O CYS A 123 -2.775 8.230 -15.390 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.790 7.743 -12.809 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.996 7.450 -11.032 1.00 0.00 S ATOM 0 H CYS A 123 -4.607 10.180 -12.223 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.667 8.030 -12.970 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.686 8.237 -13.185 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.722 6.779 -13.313 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.357 9.794 -15.051 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.509 10.275 -16.470 1.00 0.00 C ATOM 1829 C ARG A 124 -4.203 9.155 -17.490 1.00 0.00 C ATOM 1830 O ARG A 124 -3.296 9.261 -18.293 1.00 0.00 O ATOM 1831 CB ARG A 124 -3.576 11.530 -16.620 1.00 0.00 C ATOM 1832 CG ARG A 124 -3.883 12.291 -17.959 1.00 0.00 C ATOM 1833 CD ARG A 124 -4.265 13.775 -17.693 1.00 0.00 C ATOM 1834 NE ARG A 124 -5.582 13.798 -16.963 1.00 0.00 N ATOM 1835 CZ ARG A 124 -5.606 14.082 -15.719 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -5.269 15.236 -15.290 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -5.979 13.144 -14.964 1.00 0.00 N ATOM 0 H ARG A 124 -4.973 10.276 -14.396 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.539 10.558 -16.686 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -3.721 12.201 -15.773 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.532 11.217 -16.604 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.011 12.249 -18.611 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -4.698 11.792 -18.484 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.493 14.266 -17.100 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.342 14.322 -18.633 1.00 0.00 H new ATOM 0 HE ARG A 124 -6.448 13.588 -17.459 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -4.971 15.957 -15.947 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -5.297 15.437 -14.290 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -6.234 12.240 -15.362 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -6.026 13.289 -13.955 1.00 0.00 H new ATOM 1851 N ASP A 125 -4.981 8.113 -17.375 1.00 0.00 N ATOM 1852 CA ASP A 125 -4.837 6.932 -18.286 1.00 0.00 C ATOM 1853 C ASP A 125 -5.756 7.167 -19.525 1.00 0.00 C ATOM 1854 O ASP A 125 -5.209 7.472 -20.575 1.00 0.00 O ATOM 1855 CB ASP A 125 -5.223 5.679 -17.434 1.00 0.00 C ATOM 1856 CG ASP A 125 -4.629 4.365 -17.974 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -4.934 3.941 -19.073 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -3.863 3.827 -17.194 1.00 0.00 O ATOM 1859 OXT ASP A 125 -6.961 7.043 -19.357 1.00 0.00 O ATOM 0 H ASP A 125 -5.722 8.025 -16.680 1.00 0.00 H new ATOM 0 HA ASP A 125 -3.829 6.783 -18.674 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -4.884 5.828 -16.409 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -6.309 5.592 -17.401 1.00 0.00 H new