USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 795 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 42 ASN : amide:sc= -0.0326 X(o=-0.033,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00476 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 18 THR OG1 : rot -76:sc= 0.28 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 69:sc= 0.87 USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= 0.209 (180deg=0.139) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.83 X(o=-2.8,f=-2.8!) USER MOD Single : A 39 MET CE :methyl -174:sc= -0.0563 (180deg=-0.101) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -4.26! C(o=-4.3!,f=-11!) USER MOD Single : A 56 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.18) USER MOD Single : A 57 MET CE :methyl -106:sc= -3.14! (180deg=-5.65!) USER MOD Single : A 67 GLN : amide:sc= -2.65 K(o=-2.6,f=-6.3!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 42:sc= 0.613 USER MOD Single : A 74 ASN : amide:sc= -0.0311 X(o=-0.031,f=-0.21) USER MOD Single : A 76 MET CE :methyl 155:sc= -0.848 (180deg=-1.47!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 165:sc= -0.962 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : A 83 MET CE :methyl -169:sc= -0.0707 (180deg=-0.107) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -65:sc= -1.72! USER MOD Single : A 97 SER OG : rot 19:sc= 0.612 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.446 -3.578 -0.210 1.00 0.00 N ATOM 2 CA GLY A 1 -35.739 -4.607 0.532 1.00 0.00 C ATOM 3 C GLY A 1 -34.255 -4.632 0.158 1.00 0.00 C ATOM 4 O GLY A 1 -33.549 -3.641 0.339 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.450 -3.582 0.062 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.032 -2.648 0.006 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.363 -3.766 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.845 -4.427 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -36.186 -5.580 0.327 1.00 0.00 H new ATOM 8 N SER A 2 -33.827 -5.775 -0.357 1.00 0.00 N ATOM 9 CA SER A 2 -32.441 -5.942 -0.759 1.00 0.00 C ATOM 10 C SER A 2 -31.525 -5.829 0.462 1.00 0.00 C ATOM 11 O SER A 2 -31.874 -5.178 1.446 1.00 0.00 O ATOM 12 CB SER A 2 -32.045 -4.909 -1.816 1.00 0.00 C ATOM 13 OG SER A 2 -30.663 -4.992 -2.152 1.00 0.00 O ATOM 0 H SER A 2 -34.416 -6.595 -0.505 1.00 0.00 H new ATOM 0 HA SER A 2 -32.330 -6.933 -1.199 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.646 -5.059 -2.713 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.269 -3.908 -1.447 1.00 0.00 H new ATOM 0 HG SER A 2 -30.450 -4.318 -2.831 1.00 0.00 H new ATOM 19 N SER A 3 -30.372 -6.474 0.359 1.00 0.00 N ATOM 20 CA SER A 3 -29.404 -6.454 1.442 1.00 0.00 C ATOM 21 C SER A 3 -28.123 -5.753 0.987 1.00 0.00 C ATOM 22 O SER A 3 -27.713 -4.755 1.578 1.00 0.00 O ATOM 23 CB SER A 3 -29.090 -7.871 1.926 1.00 0.00 C ATOM 24 OG SER A 3 -29.263 -8.005 3.334 1.00 0.00 O ATOM 0 H SER A 3 -30.087 -7.014 -0.458 1.00 0.00 H new ATOM 0 HA SER A 3 -29.836 -5.901 2.276 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.737 -8.581 1.412 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.064 -8.126 1.661 1.00 0.00 H new ATOM 0 HG SER A 3 -29.055 -8.924 3.603 1.00 0.00 H new ATOM 30 N GLY A 4 -27.526 -6.302 -0.061 1.00 0.00 N ATOM 31 CA GLY A 4 -26.300 -5.741 -0.603 1.00 0.00 C ATOM 32 C GLY A 4 -25.384 -6.843 -1.139 1.00 0.00 C ATOM 33 O GLY A 4 -25.812 -7.984 -1.309 1.00 0.00 O ATOM 0 H GLY A 4 -27.869 -7.129 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.539 -5.040 -1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.781 -5.176 0.171 1.00 0.00 H new ATOM 37 N SER A 5 -24.140 -6.463 -1.392 1.00 0.00 N ATOM 38 CA SER A 5 -23.160 -7.404 -1.906 1.00 0.00 C ATOM 39 C SER A 5 -21.748 -6.941 -1.542 1.00 0.00 C ATOM 40 O SER A 5 -21.424 -5.761 -1.675 1.00 0.00 O ATOM 41 CB SER A 5 -23.291 -7.564 -3.422 1.00 0.00 C ATOM 42 OG SER A 5 -22.818 -8.832 -3.868 1.00 0.00 O ATOM 0 H SER A 5 -23.789 -5.516 -1.250 1.00 0.00 H new ATOM 0 HA SER A 5 -23.347 -8.375 -1.448 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.335 -7.445 -3.710 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.731 -6.773 -3.920 1.00 0.00 H new ATOM 0 HG SER A 5 -22.920 -8.896 -4.841 1.00 0.00 H new ATOM 48 N SER A 6 -20.945 -7.892 -1.090 1.00 0.00 N ATOM 49 CA SER A 6 -19.575 -7.596 -0.705 1.00 0.00 C ATOM 50 C SER A 6 -18.604 -8.194 -1.726 1.00 0.00 C ATOM 51 O SER A 6 -18.736 -9.357 -2.105 1.00 0.00 O ATOM 52 CB SER A 6 -19.268 -8.130 0.695 1.00 0.00 C ATOM 53 OG SER A 6 -18.430 -7.244 1.432 1.00 0.00 O ATOM 0 H SER A 6 -21.217 -8.869 -0.981 1.00 0.00 H new ATOM 0 HA SER A 6 -19.452 -6.513 -0.686 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.201 -8.282 1.238 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.784 -9.103 0.614 1.00 0.00 H new ATOM 0 HG SER A 6 -18.258 -7.620 2.321 1.00 0.00 H new ATOM 59 N GLY A 7 -17.652 -7.372 -2.141 1.00 0.00 N ATOM 60 CA GLY A 7 -16.659 -7.805 -3.110 1.00 0.00 C ATOM 61 C GLY A 7 -15.546 -8.607 -2.433 1.00 0.00 C ATOM 62 O GLY A 7 -15.475 -8.666 -1.206 1.00 0.00 O ATOM 0 H GLY A 7 -17.547 -6.408 -1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.136 -8.414 -3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.233 -6.937 -3.612 1.00 0.00 H new ATOM 66 N GLU A 8 -14.703 -9.204 -3.262 1.00 0.00 N ATOM 67 CA GLU A 8 -13.596 -10.000 -2.759 1.00 0.00 C ATOM 68 C GLU A 8 -12.333 -9.732 -3.581 1.00 0.00 C ATOM 69 O GLU A 8 -12.415 -9.407 -4.764 1.00 0.00 O ATOM 70 CB GLU A 8 -13.945 -11.490 -2.762 1.00 0.00 C ATOM 71 CG GLU A 8 -14.044 -12.027 -4.191 1.00 0.00 C ATOM 72 CD GLU A 8 -13.266 -13.337 -4.339 1.00 0.00 C ATOM 73 OE1 GLU A 8 -12.079 -13.339 -3.947 1.00 0.00 O ATOM 74 OE2 GLU A 8 -13.876 -14.305 -4.840 1.00 0.00 O ATOM 0 H GLU A 8 -14.764 -9.153 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.404 -9.707 -1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.185 -12.046 -2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.891 -11.647 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.090 -12.190 -4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.654 -11.287 -4.889 1.00 0.00 H new ATOM 81 N GLY A 9 -11.194 -9.878 -2.920 1.00 0.00 N ATOM 82 CA GLY A 9 -9.915 -9.656 -3.575 1.00 0.00 C ATOM 83 C GLY A 9 -9.102 -8.589 -2.840 1.00 0.00 C ATOM 84 O GLY A 9 -9.647 -7.574 -2.409 1.00 0.00 O ATOM 0 H GLY A 9 -11.130 -10.147 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.352 -10.589 -3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.080 -9.346 -4.607 1.00 0.00 H new ATOM 88 N TYR A 10 -7.809 -8.855 -2.719 1.00 0.00 N ATOM 89 CA TYR A 10 -6.915 -7.930 -2.043 1.00 0.00 C ATOM 90 C TYR A 10 -6.030 -7.190 -3.049 1.00 0.00 C ATOM 91 O TYR A 10 -6.159 -5.978 -3.219 1.00 0.00 O ATOM 92 CB TYR A 10 -6.029 -8.787 -1.137 1.00 0.00 C ATOM 93 CG TYR A 10 -6.744 -9.325 0.104 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.551 -8.492 0.852 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.584 -10.645 0.475 1.00 0.00 C ATOM 96 CE1 TYR A 10 -8.225 -8.999 2.019 1.00 0.00 C ATOM 97 CE2 TYR A 10 -7.257 -11.152 1.642 1.00 0.00 C ATOM 98 CZ TYR A 10 -8.044 -10.304 2.357 1.00 0.00 C ATOM 99 OH TYR A 10 -8.681 -10.783 3.459 1.00 0.00 O ATOM 0 H TYR A 10 -7.360 -9.698 -3.078 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.483 -7.183 -1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.642 -9.627 -1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.170 -8.195 -0.821 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.677 -7.459 0.562 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.954 -11.298 -0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.860 -8.358 2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.140 -12.183 1.943 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.460 -11.730 3.578 1.00 0.00 H new ATOM 109 N GLU A 11 -5.153 -7.949 -3.688 1.00 0.00 N ATOM 110 CA GLU A 11 -4.247 -7.380 -4.672 1.00 0.00 C ATOM 111 C GLU A 11 -4.967 -6.316 -5.503 1.00 0.00 C ATOM 112 O GLU A 11 -4.485 -5.192 -5.631 1.00 0.00 O ATOM 113 CB GLU A 11 -3.657 -8.470 -5.568 1.00 0.00 C ATOM 114 CG GLU A 11 -2.356 -9.019 -4.980 1.00 0.00 C ATOM 115 CD GLU A 11 -2.064 -10.424 -5.512 1.00 0.00 C ATOM 116 OE1 GLU A 11 -2.993 -11.258 -5.454 1.00 0.00 O ATOM 117 OE2 GLU A 11 -0.917 -10.632 -5.964 1.00 0.00 O ATOM 0 H GLU A 11 -5.050 -8.954 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.421 -6.903 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.378 -9.279 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.469 -8.066 -6.563 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.530 -8.353 -5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.427 -9.045 -3.893 1.00 0.00 H new ATOM 124 N GLN A 12 -6.110 -6.709 -6.047 1.00 0.00 N ATOM 125 CA GLN A 12 -6.901 -5.803 -6.862 1.00 0.00 C ATOM 126 C GLN A 12 -7.056 -4.454 -6.158 1.00 0.00 C ATOM 127 O GLN A 12 -6.522 -3.445 -6.618 1.00 0.00 O ATOM 128 CB GLN A 12 -8.266 -6.411 -7.190 1.00 0.00 C ATOM 129 CG GLN A 12 -8.924 -5.682 -8.363 1.00 0.00 C ATOM 130 CD GLN A 12 -10.446 -5.824 -8.313 1.00 0.00 C ATOM 131 OE1 GLN A 12 -10.995 -6.913 -8.335 1.00 0.00 O ATOM 132 NE2 GLN A 12 -11.096 -4.665 -8.244 1.00 0.00 N ATOM 0 H GLN A 12 -6.507 -7.642 -5.939 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.377 -5.641 -7.804 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.149 -7.467 -7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.913 -6.356 -6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.653 -4.627 -8.338 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.548 -6.085 -9.303 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.575 -3.788 -8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.115 -4.653 -8.206 1.00 0.00 H new ATOM 141 N ASP A 13 -7.789 -4.479 -5.055 1.00 0.00 N ATOM 142 CA ASP A 13 -8.022 -3.270 -4.284 1.00 0.00 C ATOM 143 C ASP A 13 -6.714 -2.483 -4.171 1.00 0.00 C ATOM 144 O ASP A 13 -6.621 -1.354 -4.651 1.00 0.00 O ATOM 145 CB ASP A 13 -8.497 -3.602 -2.868 1.00 0.00 C ATOM 146 CG ASP A 13 -10.013 -3.562 -2.669 1.00 0.00 C ATOM 147 OD1 ASP A 13 -10.707 -4.249 -3.449 1.00 0.00 O ATOM 148 OD2 ASP A 13 -10.445 -2.845 -1.740 1.00 0.00 O ATOM 0 H ASP A 13 -8.229 -5.318 -4.677 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.789 -2.687 -4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.137 -4.596 -2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.036 -2.901 -2.172 1.00 0.00 H new ATOM 153 N PHE A 14 -5.737 -3.110 -3.533 1.00 0.00 N ATOM 154 CA PHE A 14 -4.439 -2.483 -3.351 1.00 0.00 C ATOM 155 C PHE A 14 -3.907 -1.929 -4.674 1.00 0.00 C ATOM 156 O PHE A 14 -3.726 -0.720 -4.818 1.00 0.00 O ATOM 157 CB PHE A 14 -3.485 -3.567 -2.846 1.00 0.00 C ATOM 158 CG PHE A 14 -2.015 -3.142 -2.824 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.240 -3.320 -3.927 1.00 0.00 C ATOM 160 CD2 PHE A 14 -1.484 -2.587 -1.702 1.00 0.00 C ATOM 161 CE1 PHE A 14 0.124 -2.925 -3.908 1.00 0.00 C ATOM 162 CE2 PHE A 14 -0.120 -2.192 -1.682 1.00 0.00 C ATOM 163 CZ PHE A 14 0.655 -2.370 -2.786 1.00 0.00 C ATOM 0 H PHE A 14 -5.818 -4.046 -3.136 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.522 -1.654 -2.648 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.783 -3.859 -1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.588 -4.450 -3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.662 -3.762 -4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.100 -2.447 -0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.739 -3.065 -4.784 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.302 -1.751 -0.791 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.692 -2.070 -2.771 1.00 0.00 H new ATOM 173 N ALA A 15 -3.671 -2.839 -5.608 1.00 0.00 N ATOM 174 CA ALA A 15 -3.164 -2.456 -6.915 1.00 0.00 C ATOM 175 C ALA A 15 -3.975 -1.272 -7.445 1.00 0.00 C ATOM 176 O ALA A 15 -3.424 -0.371 -8.076 1.00 0.00 O ATOM 177 CB ALA A 15 -3.211 -3.663 -7.854 1.00 0.00 C ATOM 0 H ALA A 15 -3.822 -3.840 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.124 -2.138 -6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.831 -3.376 -8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.596 -4.465 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.240 -4.009 -7.951 1.00 0.00 H new ATOM 183 N VAL A 16 -5.270 -1.312 -7.170 1.00 0.00 N ATOM 184 CA VAL A 16 -6.163 -0.254 -7.612 1.00 0.00 C ATOM 185 C VAL A 16 -5.879 1.016 -6.807 1.00 0.00 C ATOM 186 O VAL A 16 -5.952 2.122 -7.339 1.00 0.00 O ATOM 187 CB VAL A 16 -7.617 -0.717 -7.505 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.577 0.473 -7.564 1.00 0.00 C ATOM 189 CG2 VAL A 16 -7.947 -1.743 -8.591 1.00 0.00 C ATOM 0 H VAL A 16 -5.723 -2.061 -6.646 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.987 -0.020 -8.662 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.744 -1.202 -6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.604 0.116 -7.486 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.365 1.153 -6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.447 0.999 -8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.987 -2.056 -8.492 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.794 -1.295 -9.573 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.295 -2.610 -8.482 1.00 0.00 H new ATOM 199 N LEU A 17 -5.560 0.814 -5.536 1.00 0.00 N ATOM 200 CA LEU A 17 -5.264 1.929 -4.653 1.00 0.00 C ATOM 201 C LEU A 17 -3.909 2.529 -5.032 1.00 0.00 C ATOM 202 O LEU A 17 -3.833 3.682 -5.454 1.00 0.00 O ATOM 203 CB LEU A 17 -5.355 1.491 -3.190 1.00 0.00 C ATOM 204 CG LEU A 17 -6.700 1.731 -2.500 1.00 0.00 C ATOM 205 CD1 LEU A 17 -6.750 1.034 -1.139 1.00 0.00 C ATOM 206 CD2 LEU A 17 -7.001 3.227 -2.390 1.00 0.00 C ATOM 0 H LEU A 17 -5.500 -0.105 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.006 2.718 -4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.126 0.427 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.582 2.013 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.484 1.290 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.716 1.220 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.613 -0.039 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.956 1.423 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.962 3.369 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.218 3.714 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.037 3.665 -3.387 1.00 0.00 H new ATOM 218 N THR A 18 -2.873 1.720 -4.868 1.00 0.00 N ATOM 219 CA THR A 18 -1.524 2.157 -5.188 1.00 0.00 C ATOM 220 C THR A 18 -1.529 3.022 -6.450 1.00 0.00 C ATOM 221 O THR A 18 -0.926 4.093 -6.476 1.00 0.00 O ATOM 222 CB THR A 18 -0.640 0.915 -5.306 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.353 0.064 -6.199 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.575 0.116 -4.002 1.00 0.00 C ATOM 0 H THR A 18 -2.940 0.764 -4.518 1.00 0.00 H new ATOM 0 HA THR A 18 -1.116 2.790 -4.400 1.00 0.00 H new ATOM 0 HB THR A 18 0.366 1.213 -5.600 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.104 -0.351 -5.726 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.065 -0.755 -4.141 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.167 0.744 -3.210 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.577 -0.211 -3.725 1.00 0.00 H new ATOM 232 N ALA A 19 -2.217 2.523 -7.467 1.00 0.00 N ATOM 233 CA ALA A 19 -2.308 3.236 -8.730 1.00 0.00 C ATOM 234 C ALA A 19 -3.011 4.576 -8.504 1.00 0.00 C ATOM 235 O ALA A 19 -2.499 5.624 -8.895 1.00 0.00 O ATOM 236 CB ALA A 19 -3.032 2.364 -9.758 1.00 0.00 C ATOM 0 H ALA A 19 -2.716 1.634 -7.442 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.314 3.447 -9.124 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.100 2.899 -10.705 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.477 1.437 -9.904 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.035 2.134 -9.398 1.00 0.00 H new ATOM 242 N GLU A 20 -4.175 4.499 -7.875 1.00 0.00 N ATOM 243 CA GLU A 20 -4.954 5.693 -7.593 1.00 0.00 C ATOM 244 C GLU A 20 -4.121 6.692 -6.787 1.00 0.00 C ATOM 245 O GLU A 20 -4.229 7.900 -6.989 1.00 0.00 O ATOM 246 CB GLU A 20 -6.249 5.341 -6.859 1.00 0.00 C ATOM 247 CG GLU A 20 -7.448 6.051 -7.492 1.00 0.00 C ATOM 248 CD GLU A 20 -7.778 5.455 -8.862 1.00 0.00 C ATOM 249 OE1 GLU A 20 -7.203 5.955 -9.852 1.00 0.00 O ATOM 250 OE2 GLU A 20 -8.598 4.512 -8.887 1.00 0.00 O ATOM 0 H GLU A 20 -4.597 3.628 -7.553 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.227 6.158 -8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.405 4.263 -6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.166 5.625 -5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.314 5.965 -6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.232 7.114 -7.597 1.00 0.00 H new ATOM 257 N ILE A 21 -3.308 6.150 -5.892 1.00 0.00 N ATOM 258 CA ILE A 21 -2.457 6.978 -5.055 1.00 0.00 C ATOM 259 C ILE A 21 -1.341 7.582 -5.910 1.00 0.00 C ATOM 260 O ILE A 21 -1.223 8.802 -6.013 1.00 0.00 O ATOM 261 CB ILE A 21 -1.948 6.181 -3.853 1.00 0.00 C ATOM 262 CG1 ILE A 21 -3.113 5.593 -3.052 1.00 0.00 C ATOM 263 CG2 ILE A 21 -1.025 7.034 -2.980 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.653 4.399 -2.213 1.00 0.00 C ATOM 0 H ILE A 21 -3.221 5.147 -5.728 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.026 7.809 -4.638 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.357 5.344 -4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.535 6.359 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.906 5.281 -3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.677 6.443 -2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.169 7.363 -3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.571 7.905 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.499 4.000 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.254 3.625 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.878 4.720 -1.518 1.00 0.00 H new ATOM 276 N THR A 22 -0.549 6.699 -6.501 1.00 0.00 N ATOM 277 CA THR A 22 0.554 7.129 -7.343 1.00 0.00 C ATOM 278 C THR A 22 0.131 8.317 -8.210 1.00 0.00 C ATOM 279 O THR A 22 0.891 9.270 -8.377 1.00 0.00 O ATOM 280 CB THR A 22 1.027 5.922 -8.156 1.00 0.00 C ATOM 281 OG1 THR A 22 2.448 6.025 -8.135 1.00 0.00 O ATOM 282 CG2 THR A 22 0.667 6.037 -9.638 1.00 0.00 C ATOM 0 H THR A 22 -0.650 5.688 -6.413 1.00 0.00 H new ATOM 0 HA THR A 22 1.393 7.485 -6.745 1.00 0.00 H new ATOM 0 HB THR A 22 0.587 5.013 -7.745 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.837 5.280 -8.638 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.025 5.155 -10.169 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.415 6.110 -9.745 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.134 6.928 -10.058 1.00 0.00 H new ATOM 290 N SER A 23 -1.080 8.221 -8.739 1.00 0.00 N ATOM 291 CA SER A 23 -1.612 9.276 -9.584 1.00 0.00 C ATOM 292 C SER A 23 -1.680 10.590 -8.802 1.00 0.00 C ATOM 293 O SER A 23 -1.080 11.586 -9.203 1.00 0.00 O ATOM 294 CB SER A 23 -2.997 8.906 -10.120 1.00 0.00 C ATOM 295 OG SER A 23 -2.982 7.671 -10.831 1.00 0.00 O ATOM 0 H SER A 23 -1.707 7.429 -8.599 1.00 0.00 H new ATOM 0 HA SER A 23 -0.943 9.402 -10.435 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.701 8.838 -9.290 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.355 9.698 -10.777 1.00 0.00 H new ATOM 0 HG SER A 23 -2.817 6.935 -10.205 1.00 0.00 H new ATOM 301 N LYS A 24 -2.415 10.549 -7.701 1.00 0.00 N ATOM 302 CA LYS A 24 -2.569 11.723 -6.859 1.00 0.00 C ATOM 303 C LYS A 24 -1.186 12.254 -6.475 1.00 0.00 C ATOM 304 O LYS A 24 -0.983 13.464 -6.393 1.00 0.00 O ATOM 305 CB LYS A 24 -3.462 11.409 -5.658 1.00 0.00 C ATOM 306 CG LYS A 24 -4.897 11.117 -6.104 1.00 0.00 C ATOM 307 CD LYS A 24 -5.706 10.486 -4.968 1.00 0.00 C ATOM 308 CE LYS A 24 -7.175 10.327 -5.365 1.00 0.00 C ATOM 309 NZ LYS A 24 -8.018 10.135 -4.164 1.00 0.00 N ATOM 0 H LYS A 24 -2.911 9.721 -7.372 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.077 12.518 -7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.063 10.550 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.457 12.251 -4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.376 12.041 -6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.885 10.446 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.286 9.512 -4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.632 11.107 -4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.507 11.209 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.287 9.475 -6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.012 10.029 -4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.711 9.280 -3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.925 10.961 -3.539 1.00 0.00 H new ATOM 323 N ILE A 25 -0.271 11.322 -6.250 1.00 0.00 N ATOM 324 CA ILE A 25 1.086 11.681 -5.876 1.00 0.00 C ATOM 325 C ILE A 25 1.715 12.514 -6.995 1.00 0.00 C ATOM 326 O ILE A 25 2.650 13.277 -6.755 1.00 0.00 O ATOM 327 CB ILE A 25 1.890 10.431 -5.513 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.379 9.809 -4.212 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.387 10.741 -5.451 1.00 0.00 C ATOM 330 CD1 ILE A 25 2.181 8.557 -3.850 1.00 0.00 C ATOM 0 H ILE A 25 -0.443 10.319 -6.320 1.00 0.00 H new ATOM 0 HA ILE A 25 1.083 12.301 -4.980 1.00 0.00 H new ATOM 0 HB ILE A 25 1.747 9.692 -6.301 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.451 10.537 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.325 9.552 -4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.936 9.836 -5.191 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.724 11.103 -6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.569 11.505 -4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.797 8.135 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.087 7.821 -4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.231 8.822 -3.722 1.00 0.00 H new ATOM 342 N ALA A 26 1.178 12.339 -8.193 1.00 0.00 N ATOM 343 CA ALA A 26 1.675 13.065 -9.349 1.00 0.00 C ATOM 344 C ALA A 26 0.885 14.366 -9.508 1.00 0.00 C ATOM 345 O ALA A 26 1.347 15.300 -10.161 1.00 0.00 O ATOM 346 CB ALA A 26 1.584 12.173 -10.589 1.00 0.00 C ATOM 0 H ALA A 26 0.403 11.705 -8.388 1.00 0.00 H new ATOM 0 HA ALA A 26 2.723 13.331 -9.214 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.957 12.717 -11.457 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.185 11.276 -10.437 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.545 11.889 -10.758 1.00 0.00 H new ATOM 352 N ARG A 27 -0.291 14.385 -8.898 1.00 0.00 N ATOM 353 CA ARG A 27 -1.149 15.555 -8.964 1.00 0.00 C ATOM 354 C ARG A 27 -0.968 16.417 -7.712 1.00 0.00 C ATOM 355 O ARG A 27 -1.485 17.530 -7.640 1.00 0.00 O ATOM 356 CB ARG A 27 -2.620 15.154 -9.090 1.00 0.00 C ATOM 357 CG ARG A 27 -3.145 15.431 -10.500 1.00 0.00 C ATOM 358 CD ARG A 27 -4.558 16.016 -10.453 1.00 0.00 C ATOM 359 NE ARG A 27 -5.241 15.792 -11.748 1.00 0.00 N ATOM 360 CZ ARG A 27 -5.083 16.573 -12.825 1.00 0.00 C ATOM 361 NH1 ARG A 27 -4.265 17.633 -12.770 1.00 0.00 N ATOM 362 NH2 ARG A 27 -5.743 16.294 -13.957 1.00 0.00 N ATOM 0 H ARG A 27 -0.670 13.608 -8.356 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.863 16.126 -9.848 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.733 14.095 -8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.215 15.706 -8.362 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.477 16.124 -11.011 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.149 14.507 -11.079 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.126 15.551 -9.647 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.512 17.083 -10.236 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.871 14.993 -11.825 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.763 17.845 -11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.145 18.228 -13.590 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.366 15.487 -13.999 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.623 16.888 -14.777 1.00 0.00 H new ATOM 376 N VAL A 28 -0.232 15.868 -6.756 1.00 0.00 N ATOM 377 CA VAL A 28 0.024 16.572 -5.511 1.00 0.00 C ATOM 378 C VAL A 28 0.873 17.812 -5.797 1.00 0.00 C ATOM 379 O VAL A 28 0.538 18.912 -5.361 1.00 0.00 O ATOM 380 CB VAL A 28 0.671 15.625 -4.498 1.00 0.00 C ATOM 381 CG1 VAL A 28 1.803 16.323 -3.741 1.00 0.00 C ATOM 382 CG2 VAL A 28 -0.372 15.063 -3.530 1.00 0.00 C ATOM 0 H VAL A 28 0.195 14.944 -6.819 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.911 16.913 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 28 1.102 14.789 -5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.246 15.628 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.565 16.652 -4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.406 17.187 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.114 14.393 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.846 15.883 -2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.128 14.512 -4.089 1.00 0.00 H new ATOM 392 N PRO A 29 1.985 17.588 -6.547 1.00 0.00 N ATOM 393 CA PRO A 29 2.884 18.674 -6.896 1.00 0.00 C ATOM 394 C PRO A 29 2.281 19.555 -7.992 1.00 0.00 C ATOM 395 O PRO A 29 2.906 20.517 -8.434 1.00 0.00 O ATOM 396 CB PRO A 29 4.175 17.994 -7.324 1.00 0.00 C ATOM 397 CG PRO A 29 3.802 16.556 -7.643 1.00 0.00 C ATOM 398 CD PRO A 29 2.414 16.298 -7.081 1.00 0.00 C ATOM 0 HA PRO A 29 3.064 19.354 -6.064 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.607 18.488 -8.195 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.921 18.037 -6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.815 16.388 -8.720 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.525 15.868 -7.205 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.733 15.943 -7.855 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.437 15.535 -6.303 1.00 0.00 H new ATOM 406 N ARG A 30 1.072 19.194 -8.398 1.00 0.00 N ATOM 407 CA ARG A 30 0.378 19.940 -9.434 1.00 0.00 C ATOM 408 C ARG A 30 -0.856 20.634 -8.852 1.00 0.00 C ATOM 409 O ARG A 30 -1.240 21.709 -9.307 1.00 0.00 O ATOM 410 CB ARG A 30 -0.055 19.021 -10.578 1.00 0.00 C ATOM 411 CG ARG A 30 1.152 18.556 -11.395 1.00 0.00 C ATOM 412 CD ARG A 30 0.746 17.492 -12.417 1.00 0.00 C ATOM 413 NE ARG A 30 1.948 16.955 -13.092 1.00 0.00 N ATOM 414 CZ ARG A 30 1.915 16.222 -14.214 1.00 0.00 C ATOM 415 NH1 ARG A 30 0.741 15.936 -14.793 1.00 0.00 N ATOM 416 NH2 ARG A 30 3.056 15.776 -14.757 1.00 0.00 N ATOM 0 H ARG A 30 0.556 18.396 -8.028 1.00 0.00 H new ATOM 0 HA ARG A 30 1.069 20.687 -9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.581 18.156 -10.175 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.756 19.547 -11.226 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.597 19.408 -11.909 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.914 18.152 -10.728 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.207 16.685 -11.920 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.067 17.923 -13.153 1.00 0.00 H new ATOM 0 HE ARG A 30 2.858 17.155 -12.678 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.128 16.276 -14.380 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.716 15.378 -15.647 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.950 15.994 -14.317 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.031 15.218 -15.611 1.00 0.00 H new ATOM 430 N LEU A 31 -1.441 19.989 -7.853 1.00 0.00 N ATOM 431 CA LEU A 31 -2.623 20.531 -7.204 1.00 0.00 C ATOM 432 C LEU A 31 -2.245 21.808 -6.450 1.00 0.00 C ATOM 433 O LEU A 31 -1.078 22.019 -6.125 1.00 0.00 O ATOM 434 CB LEU A 31 -3.284 19.470 -6.322 1.00 0.00 C ATOM 435 CG LEU A 31 -4.084 18.392 -7.056 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.183 17.116 -6.218 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.462 18.916 -7.465 1.00 0.00 C ATOM 0 H LEU A 31 -1.119 19.097 -7.478 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.372 20.808 -7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.508 18.981 -5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.949 19.973 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.551 18.136 -7.972 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.757 16.366 -6.763 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.182 16.733 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.681 17.338 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.010 18.130 -7.985 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.015 19.217 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.343 19.774 -8.126 1.00 0.00 H new ATOM 449 N PRO A 32 -3.282 22.649 -6.188 1.00 0.00 N ATOM 450 CA PRO A 32 -3.071 23.899 -5.479 1.00 0.00 C ATOM 451 C PRO A 32 -2.848 23.652 -3.986 1.00 0.00 C ATOM 452 O PRO A 32 -2.970 22.522 -3.515 1.00 0.00 O ATOM 453 CB PRO A 32 -4.312 24.728 -5.766 1.00 0.00 C ATOM 454 CG PRO A 32 -5.371 23.744 -6.235 1.00 0.00 C ATOM 455 CD PRO A 32 -4.677 22.431 -6.558 1.00 0.00 C ATOM 0 HA PRO A 32 -2.174 24.423 -5.808 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.641 25.260 -4.874 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.112 25.480 -6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.125 23.597 -5.462 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.887 24.129 -7.114 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.111 21.605 -5.996 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.772 22.182 -7.615 1.00 0.00 H new ATOM 463 N PRO A 33 -2.518 24.756 -3.263 1.00 0.00 N ATOM 464 CA PRO A 33 -2.277 24.670 -1.833 1.00 0.00 C ATOM 465 C PRO A 33 -3.592 24.518 -1.064 1.00 0.00 C ATOM 466 O PRO A 33 -3.596 24.488 0.165 1.00 0.00 O ATOM 467 CB PRO A 33 -1.529 25.946 -1.483 1.00 0.00 C ATOM 468 CG PRO A 33 -1.785 26.908 -2.631 1.00 0.00 C ATOM 469 CD PRO A 33 -2.365 26.110 -3.787 1.00 0.00 C ATOM 0 HA PRO A 33 -1.692 23.793 -1.557 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.884 26.361 -0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.463 25.754 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.476 27.693 -2.324 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.859 27.398 -2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.322 26.520 -4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.702 26.127 -4.652 1.00 0.00 H new ATOM 477 N ASP A 34 -4.675 24.426 -1.821 1.00 0.00 N ATOM 478 CA ASP A 34 -5.993 24.278 -1.226 1.00 0.00 C ATOM 479 C ASP A 34 -6.374 22.796 -1.205 1.00 0.00 C ATOM 480 O ASP A 34 -6.816 22.280 -0.179 1.00 0.00 O ATOM 481 CB ASP A 34 -7.051 25.027 -2.038 1.00 0.00 C ATOM 482 CG ASP A 34 -8.210 25.599 -1.219 1.00 0.00 C ATOM 483 OD1 ASP A 34 -8.326 25.196 -0.042 1.00 0.00 O ATOM 484 OD2 ASP A 34 -8.953 26.427 -1.789 1.00 0.00 O ATOM 0 H ASP A 34 -4.667 24.451 -2.841 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.956 24.689 -0.217 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.566 25.844 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.457 24.350 -2.790 1.00 0.00 H new ATOM 489 N GLU A 35 -6.189 22.154 -2.349 1.00 0.00 N ATOM 490 CA GLU A 35 -6.508 20.742 -2.474 1.00 0.00 C ATOM 491 C GLU A 35 -5.300 19.888 -2.082 1.00 0.00 C ATOM 492 O GLU A 35 -5.459 18.785 -1.561 1.00 0.00 O ATOM 493 CB GLU A 35 -6.977 20.410 -3.892 1.00 0.00 C ATOM 494 CG GLU A 35 -8.354 21.017 -4.170 1.00 0.00 C ATOM 495 CD GLU A 35 -9.356 19.937 -4.584 1.00 0.00 C ATOM 496 OE1 GLU A 35 -9.209 18.803 -4.081 1.00 0.00 O ATOM 497 OE2 GLU A 35 -10.247 20.271 -5.395 1.00 0.00 O ATOM 0 H GLU A 35 -5.822 22.585 -3.197 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.327 20.513 -1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.256 20.789 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.019 19.328 -4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.715 21.531 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.273 21.765 -4.959 1.00 0.00 H new ATOM 504 N LYS A 36 -4.121 20.430 -2.349 1.00 0.00 N ATOM 505 CA LYS A 36 -2.887 19.732 -2.030 1.00 0.00 C ATOM 506 C LYS A 36 -2.888 19.355 -0.547 1.00 0.00 C ATOM 507 O LYS A 36 -2.784 18.179 -0.202 1.00 0.00 O ATOM 508 CB LYS A 36 -1.676 20.565 -2.453 1.00 0.00 C ATOM 509 CG LYS A 36 -0.369 19.866 -2.070 1.00 0.00 C ATOM 510 CD LYS A 36 0.832 20.557 -2.717 1.00 0.00 C ATOM 511 CE LYS A 36 2.147 19.982 -2.187 1.00 0.00 C ATOM 512 NZ LYS A 36 3.271 20.897 -2.486 1.00 0.00 N ATOM 0 H LYS A 36 -3.994 21.344 -2.783 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.818 18.802 -2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.702 20.730 -3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.721 21.545 -1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.255 19.870 -0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.405 18.823 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.787 20.434 -3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.792 21.628 -2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.075 19.825 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.333 19.008 -2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.097 20.631 -1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.514 20.831 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.993 21.873 -2.260 1.00 0.00 H new ATOM 526 N LYS A 37 -3.005 20.376 0.290 1.00 0.00 N ATOM 527 CA LYS A 37 -3.020 20.167 1.727 1.00 0.00 C ATOM 528 C LYS A 37 -3.837 18.913 2.048 1.00 0.00 C ATOM 529 O LYS A 37 -3.344 17.998 2.705 1.00 0.00 O ATOM 530 CB LYS A 37 -3.514 21.423 2.446 1.00 0.00 C ATOM 531 CG LYS A 37 -2.457 21.951 3.418 1.00 0.00 C ATOM 532 CD LYS A 37 -1.678 23.114 2.802 1.00 0.00 C ATOM 533 CE LYS A 37 -0.814 23.814 3.854 1.00 0.00 C ATOM 534 NZ LYS A 37 -1.327 25.176 4.123 1.00 0.00 N ATOM 0 H LYS A 37 -3.090 21.350 -0.000 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.010 19.993 2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.757 22.193 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.432 21.198 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.937 22.278 4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.769 21.148 3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.046 22.746 1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.373 23.829 2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.810 23.232 4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.218 23.870 3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.730 25.637 4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.308 25.734 3.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.304 25.116 4.474 1.00 0.00 H new ATOM 548 N GLN A 38 -5.072 18.912 1.568 1.00 0.00 N ATOM 549 CA GLN A 38 -5.962 17.786 1.795 1.00 0.00 C ATOM 550 C GLN A 38 -5.444 16.545 1.066 1.00 0.00 C ATOM 551 O GLN A 38 -5.383 15.461 1.644 1.00 0.00 O ATOM 552 CB GLN A 38 -7.391 18.120 1.361 1.00 0.00 C ATOM 553 CG GLN A 38 -7.996 19.203 2.257 1.00 0.00 C ATOM 554 CD GLN A 38 -8.055 20.547 1.530 1.00 0.00 C ATOM 555 OE1 GLN A 38 -8.503 20.652 0.400 1.00 0.00 O ATOM 556 NE2 GLN A 38 -7.580 21.567 2.239 1.00 0.00 N ATOM 0 H GLN A 38 -5.477 19.673 1.023 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.982 17.574 2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.391 18.458 0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.007 17.222 1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.999 18.907 2.564 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.401 19.303 3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.219 21.410 3.180 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.576 22.506 1.842 1.00 0.00 H new ATOM 565 N MET A 39 -5.084 16.745 -0.194 1.00 0.00 N ATOM 566 CA MET A 39 -4.573 15.655 -1.008 1.00 0.00 C ATOM 567 C MET A 39 -3.403 14.954 -0.315 1.00 0.00 C ATOM 568 O MET A 39 -3.419 13.736 -0.142 1.00 0.00 O ATOM 569 CB MET A 39 -4.112 16.201 -2.361 1.00 0.00 C ATOM 570 CG MET A 39 -3.588 15.076 -3.256 1.00 0.00 C ATOM 571 SD MET A 39 -4.815 13.787 -3.397 1.00 0.00 S ATOM 572 CE MET A 39 -5.677 14.337 -4.860 1.00 0.00 C ATOM 0 H MET A 39 -5.136 17.645 -0.671 1.00 0.00 H new ATOM 0 HA MET A 39 -5.373 14.929 -1.152 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.942 16.707 -2.855 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.330 16.945 -2.210 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.346 15.469 -4.244 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.667 14.669 -2.840 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.546 13.701 -5.031 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.003 15.368 -4.724 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.009 14.278 -5.720 1.00 0.00 H new ATOM 582 N VAL A 40 -2.417 15.753 0.065 1.00 0.00 N ATOM 583 CA VAL A 40 -1.241 15.225 0.735 1.00 0.00 C ATOM 584 C VAL A 40 -1.679 14.399 1.947 1.00 0.00 C ATOM 585 O VAL A 40 -0.931 13.548 2.426 1.00 0.00 O ATOM 586 CB VAL A 40 -0.290 16.366 1.102 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.767 15.898 2.103 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.363 16.958 -0.149 1.00 0.00 C ATOM 0 H VAL A 40 -2.408 16.763 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.688 14.561 0.070 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.877 17.152 1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.430 16.728 2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.278 15.546 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.348 15.086 1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.034 17.767 0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.930 16.183 -0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.409 17.346 -0.813 1.00 0.00 H new ATOM 598 N ALA A 41 -2.889 14.679 2.408 1.00 0.00 N ATOM 599 CA ALA A 41 -3.435 13.973 3.554 1.00 0.00 C ATOM 600 C ALA A 41 -4.261 12.781 3.067 1.00 0.00 C ATOM 601 O ALA A 41 -4.201 11.699 3.651 1.00 0.00 O ATOM 602 CB ALA A 41 -4.256 14.942 4.407 1.00 0.00 C ATOM 0 H ALA A 41 -3.507 15.385 2.008 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.634 13.584 4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.666 14.412 5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.617 15.754 4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.072 15.351 3.810 1.00 0.00 H new ATOM 608 N ASN A 42 -5.014 13.018 2.003 1.00 0.00 N ATOM 609 CA ASN A 42 -5.851 11.977 1.431 1.00 0.00 C ATOM 610 C ASN A 42 -4.987 10.760 1.098 1.00 0.00 C ATOM 611 O ASN A 42 -5.431 9.621 1.239 1.00 0.00 O ATOM 612 CB ASN A 42 -6.516 12.454 0.138 1.00 0.00 C ATOM 613 CG ASN A 42 -7.769 11.632 -0.169 1.00 0.00 C ATOM 614 OD1 ASN A 42 -8.883 12.002 0.163 1.00 0.00 O ATOM 615 ND2 ASN A 42 -7.526 10.498 -0.821 1.00 0.00 N ATOM 0 H ASN A 42 -5.062 13.916 1.522 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.621 11.724 2.160 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.781 13.507 0.228 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.811 12.372 -0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.297 9.879 -1.073 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.569 10.247 -1.069 1.00 0.00 H new ATOM 622 N VAL A 43 -3.768 11.040 0.662 1.00 0.00 N ATOM 623 CA VAL A 43 -2.837 9.982 0.307 1.00 0.00 C ATOM 624 C VAL A 43 -2.340 9.298 1.582 1.00 0.00 C ATOM 625 O VAL A 43 -2.172 8.080 1.612 1.00 0.00 O ATOM 626 CB VAL A 43 -1.703 10.548 -0.550 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.474 9.637 -0.503 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.165 10.773 -1.991 1.00 0.00 C ATOM 0 H VAL A 43 -3.403 11.985 0.546 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.334 9.222 -0.297 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.419 11.515 -0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.318 10.062 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.125 9.550 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.738 8.649 -0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.340 11.176 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.489 9.825 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.996 11.479 -2.001 1.00 0.00 H new ATOM 638 N GLU A 44 -2.117 10.112 2.604 1.00 0.00 N ATOM 639 CA GLU A 44 -1.642 9.601 3.878 1.00 0.00 C ATOM 640 C GLU A 44 -2.567 8.492 4.383 1.00 0.00 C ATOM 641 O GLU A 44 -2.130 7.591 5.098 1.00 0.00 O ATOM 642 CB GLU A 44 -1.519 10.725 4.908 1.00 0.00 C ATOM 643 CG GLU A 44 -0.279 11.580 4.642 1.00 0.00 C ATOM 644 CD GLU A 44 0.589 11.694 5.897 1.00 0.00 C ATOM 645 OE1 GLU A 44 1.127 10.645 6.312 1.00 0.00 O ATOM 646 OE2 GLU A 44 0.694 12.827 6.414 1.00 0.00 O ATOM 0 H GLU A 44 -2.257 11.122 2.575 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.648 9.179 3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.410 11.351 4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.464 10.300 5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.303 11.141 3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.582 12.574 4.314 1.00 0.00 H new ATOM 653 N LYS A 45 -3.829 8.595 3.993 1.00 0.00 N ATOM 654 CA LYS A 45 -4.820 7.612 4.398 1.00 0.00 C ATOM 655 C LYS A 45 -4.722 6.389 3.484 1.00 0.00 C ATOM 656 O LYS A 45 -4.321 5.312 3.924 1.00 0.00 O ATOM 657 CB LYS A 45 -6.214 8.241 4.435 1.00 0.00 C ATOM 658 CG LYS A 45 -6.874 8.030 5.799 1.00 0.00 C ATOM 659 CD LYS A 45 -6.062 8.699 6.910 1.00 0.00 C ATOM 660 CE LYS A 45 -6.749 9.975 7.400 1.00 0.00 C ATOM 661 NZ LYS A 45 -5.777 10.859 8.081 1.00 0.00 N ATOM 0 H LYS A 45 -4.188 9.344 3.401 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.623 7.269 5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.141 9.308 4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.836 7.803 3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.884 8.439 5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.965 6.963 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.938 8.006 7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.064 8.937 6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.198 10.500 6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.558 9.720 8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.260 11.720 8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.368 10.361 8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.019 11.118 7.418 1.00 0.00 H new ATOM 675 N GLN A 46 -5.093 6.596 2.229 1.00 0.00 N ATOM 676 CA GLN A 46 -5.052 5.523 1.250 1.00 0.00 C ATOM 677 C GLN A 46 -3.760 4.717 1.399 1.00 0.00 C ATOM 678 O GLN A 46 -3.742 3.513 1.148 1.00 0.00 O ATOM 679 CB GLN A 46 -5.194 6.072 -0.171 1.00 0.00 C ATOM 680 CG GLN A 46 -6.625 6.544 -0.436 1.00 0.00 C ATOM 681 CD GLN A 46 -7.643 5.546 0.121 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.544 4.346 -0.072 1.00 0.00 O ATOM 683 NE2 GLN A 46 -8.625 6.109 0.820 1.00 0.00 N ATOM 0 H GLN A 46 -5.423 7.491 1.868 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.896 4.858 1.434 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.501 6.901 -0.315 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.922 5.301 -0.892 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.780 7.521 0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.779 6.666 -1.508 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.648 7.121 0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.355 5.528 1.233 1.00 0.00 H new ATOM 692 N LEU A 47 -2.710 5.414 1.809 1.00 0.00 N ATOM 693 CA LEU A 47 -1.416 4.778 1.995 1.00 0.00 C ATOM 694 C LEU A 47 -1.476 3.859 3.217 1.00 0.00 C ATOM 695 O LEU A 47 -1.121 2.684 3.132 1.00 0.00 O ATOM 696 CB LEU A 47 -0.308 5.830 2.070 1.00 0.00 C ATOM 697 CG LEU A 47 0.186 6.381 0.731 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.045 7.631 0.935 1.00 0.00 C ATOM 699 CD2 LEU A 47 0.922 5.303 -0.067 1.00 0.00 C ATOM 0 H LEU A 47 -2.729 6.412 2.018 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.172 4.152 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.667 6.664 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.542 5.397 2.598 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.682 6.680 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.383 8.002 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.455 8.401 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.910 7.382 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.263 5.721 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.781 4.950 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.247 4.469 -0.260 1.00 0.00 H new ATOM 711 N GLU A 48 -1.927 4.429 4.325 1.00 0.00 N ATOM 712 CA GLU A 48 -2.037 3.676 5.562 1.00 0.00 C ATOM 713 C GLU A 48 -3.045 2.536 5.402 1.00 0.00 C ATOM 714 O GLU A 48 -2.946 1.515 6.080 1.00 0.00 O ATOM 715 CB GLU A 48 -2.423 4.589 6.728 1.00 0.00 C ATOM 716 CG GLU A 48 -3.934 4.564 6.967 1.00 0.00 C ATOM 717 CD GLU A 48 -4.325 5.511 8.104 1.00 0.00 C ATOM 718 OE1 GLU A 48 -4.142 6.732 7.913 1.00 0.00 O ATOM 719 OE2 GLU A 48 -4.798 4.992 9.137 1.00 0.00 O ATOM 0 H GLU A 48 -2.220 5.404 4.391 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.062 3.244 5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.903 4.271 7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.101 5.609 6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.455 4.852 6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.251 3.549 7.209 1.00 0.00 H new ATOM 726 N GLU A 49 -3.992 2.749 4.500 1.00 0.00 N ATOM 727 CA GLU A 49 -5.018 1.752 4.242 1.00 0.00 C ATOM 728 C GLU A 49 -4.407 0.528 3.558 1.00 0.00 C ATOM 729 O GLU A 49 -4.521 -0.590 4.060 1.00 0.00 O ATOM 730 CB GLU A 49 -6.154 2.339 3.403 1.00 0.00 C ATOM 731 CG GLU A 49 -6.860 3.471 4.151 1.00 0.00 C ATOM 732 CD GLU A 49 -7.001 3.141 5.639 1.00 0.00 C ATOM 733 OE1 GLU A 49 -7.436 2.006 5.929 1.00 0.00 O ATOM 734 OE2 GLU A 49 -6.670 4.031 6.452 1.00 0.00 O ATOM 0 H GLU A 49 -4.071 3.597 3.939 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.441 1.438 5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.758 2.714 2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.872 1.556 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.297 4.397 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.846 3.639 3.717 1.00 0.00 H new ATOM 741 N ALA A 50 -3.772 0.779 2.423 1.00 0.00 N ATOM 742 CA ALA A 50 -3.143 -0.289 1.665 1.00 0.00 C ATOM 743 C ALA A 50 -2.084 -0.971 2.534 1.00 0.00 C ATOM 744 O ALA A 50 -1.922 -2.189 2.481 1.00 0.00 O ATOM 745 CB ALA A 50 -2.558 0.279 0.370 1.00 0.00 C ATOM 0 H ALA A 50 -3.679 1.707 2.010 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.877 -1.045 1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.086 -0.523 -0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.355 0.725 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.815 1.040 0.609 1.00 0.00 H new ATOM 751 N ARG A 51 -1.390 -0.154 3.313 1.00 0.00 N ATOM 752 CA ARG A 51 -0.351 -0.663 4.193 1.00 0.00 C ATOM 753 C ARG A 51 -0.807 -1.964 4.857 1.00 0.00 C ATOM 754 O ARG A 51 -0.026 -2.904 4.991 1.00 0.00 O ATOM 755 CB ARG A 51 0.002 0.358 5.276 1.00 0.00 C ATOM 756 CG ARG A 51 0.977 1.409 4.743 1.00 0.00 C ATOM 757 CD ARG A 51 2.160 1.593 5.695 1.00 0.00 C ATOM 758 NE ARG A 51 2.271 3.013 6.097 1.00 0.00 N ATOM 759 CZ ARG A 51 3.140 3.470 7.008 1.00 0.00 C ATOM 760 NH1 ARG A 51 3.979 2.623 7.618 1.00 0.00 N ATOM 761 NH2 ARG A 51 3.169 4.776 7.310 1.00 0.00 N ATOM 0 H ARG A 51 -1.527 0.856 3.353 1.00 0.00 H new ATOM 0 HA ARG A 51 0.534 -0.852 3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.906 0.846 5.630 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.444 -0.152 6.132 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.340 1.108 3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.458 2.359 4.614 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.028 0.966 6.577 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.081 1.271 5.210 1.00 0.00 H new ATOM 0 HE ARG A 51 1.647 3.686 5.652 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.956 1.629 7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.641 2.972 8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.529 5.421 6.846 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.831 5.124 8.004 1.00 0.00 H new ATOM 775 N GLU A 52 -2.071 -1.976 5.254 1.00 0.00 N ATOM 776 CA GLU A 52 -2.641 -3.146 5.901 1.00 0.00 C ATOM 777 C GLU A 52 -2.697 -4.320 4.921 1.00 0.00 C ATOM 778 O GLU A 52 -2.319 -5.439 5.264 1.00 0.00 O ATOM 779 CB GLU A 52 -4.028 -2.839 6.468 1.00 0.00 C ATOM 780 CG GLU A 52 -4.955 -4.048 6.336 1.00 0.00 C ATOM 781 CD GLU A 52 -6.079 -3.994 7.373 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.710 -2.919 7.469 1.00 0.00 O ATOM 783 OE2 GLU A 52 -6.281 -5.028 8.045 1.00 0.00 O ATOM 0 H GLU A 52 -2.716 -1.194 5.140 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.997 -3.424 6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.941 -2.556 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.459 -1.987 5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.382 -4.076 5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.381 -4.966 6.464 1.00 0.00 H new ATOM 790 N LEU A 53 -3.172 -4.024 3.720 1.00 0.00 N ATOM 791 CA LEU A 53 -3.282 -5.040 2.687 1.00 0.00 C ATOM 792 C LEU A 53 -1.990 -5.859 2.643 1.00 0.00 C ATOM 793 O LEU A 53 -2.018 -7.079 2.794 1.00 0.00 O ATOM 794 CB LEU A 53 -3.654 -4.404 1.346 1.00 0.00 C ATOM 795 CG LEU A 53 -5.088 -4.638 0.868 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.681 -3.362 0.268 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.155 -5.815 -0.109 1.00 0.00 C ATOM 0 H LEU A 53 -3.485 -3.095 3.439 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.091 -5.733 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.487 -3.329 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.972 -4.783 0.585 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.698 -4.901 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.701 -3.556 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.688 -2.575 1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.077 -3.045 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.185 -5.960 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.528 -5.605 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.800 -6.719 0.386 1.00 0.00 H new ATOM 809 N LEU A 54 -0.888 -5.153 2.434 1.00 0.00 N ATOM 810 CA LEU A 54 0.412 -5.799 2.367 1.00 0.00 C ATOM 811 C LEU A 54 0.601 -6.683 3.601 1.00 0.00 C ATOM 812 O LEU A 54 1.245 -7.729 3.528 1.00 0.00 O ATOM 813 CB LEU A 54 1.518 -4.758 2.181 1.00 0.00 C ATOM 814 CG LEU A 54 1.503 -3.993 0.856 1.00 0.00 C ATOM 815 CD1 LEU A 54 2.921 -3.618 0.423 1.00 0.00 C ATOM 816 CD2 LEU A 54 0.763 -4.783 -0.225 1.00 0.00 C ATOM 0 H LEU A 54 -0.869 -4.141 2.309 1.00 0.00 H new ATOM 0 HA LEU A 54 0.469 -6.451 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.451 -4.036 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.481 -5.259 2.278 1.00 0.00 H new ATOM 0 HG LEU A 54 0.956 -3.062 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.881 -3.075 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.379 -2.988 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.514 -4.524 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.767 -4.217 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.260 -5.741 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.266 -4.955 0.090 1.00 0.00 H new ATOM 828 N GLU A 55 0.028 -6.231 4.707 1.00 0.00 N ATOM 829 CA GLU A 55 0.126 -6.969 5.956 1.00 0.00 C ATOM 830 C GLU A 55 -0.684 -8.264 5.872 1.00 0.00 C ATOM 831 O GLU A 55 -0.172 -9.341 6.173 1.00 0.00 O ATOM 832 CB GLU A 55 -0.333 -6.111 7.136 1.00 0.00 C ATOM 833 CG GLU A 55 0.816 -5.867 8.117 1.00 0.00 C ATOM 834 CD GLU A 55 0.355 -6.069 9.562 1.00 0.00 C ATOM 835 OE1 GLU A 55 -0.778 -5.634 9.862 1.00 0.00 O ATOM 836 OE2 GLU A 55 1.146 -6.653 10.334 1.00 0.00 O ATOM 0 H GLU A 55 -0.506 -5.364 4.765 1.00 0.00 H new ATOM 0 HA GLU A 55 1.172 -7.228 6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.712 -5.157 6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.157 -6.605 7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.639 -6.547 7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.197 -4.854 7.991 1.00 0.00 H new ATOM 843 N GLN A 56 -1.935 -8.117 5.461 1.00 0.00 N ATOM 844 CA GLN A 56 -2.821 -9.262 5.333 1.00 0.00 C ATOM 845 C GLN A 56 -2.328 -10.193 4.224 1.00 0.00 C ATOM 846 O GLN A 56 -2.279 -11.409 4.405 1.00 0.00 O ATOM 847 CB GLN A 56 -4.261 -8.815 5.075 1.00 0.00 C ATOM 848 CG GLN A 56 -4.857 -8.143 6.314 1.00 0.00 C ATOM 849 CD GLN A 56 -5.038 -9.151 7.451 1.00 0.00 C ATOM 850 OE1 GLN A 56 -5.954 -9.956 7.462 1.00 0.00 O ATOM 851 NE2 GLN A 56 -4.115 -9.062 8.404 1.00 0.00 N ATOM 0 H GLN A 56 -2.356 -7.222 5.212 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.810 -9.812 6.274 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.285 -8.122 4.234 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.868 -9.676 4.796 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.205 -7.333 6.642 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.819 -7.696 6.063 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.374 -8.364 8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.148 -9.691 9.206 1.00 0.00 H new ATOM 860 N MET A 57 -1.976 -9.587 3.099 1.00 0.00 N ATOM 861 CA MET A 57 -1.489 -10.346 1.960 1.00 0.00 C ATOM 862 C MET A 57 -0.244 -11.155 2.332 1.00 0.00 C ATOM 863 O MET A 57 -0.079 -12.288 1.884 1.00 0.00 O ATOM 864 CB MET A 57 -1.153 -9.390 0.815 1.00 0.00 C ATOM 865 CG MET A 57 -2.419 -8.736 0.257 1.00 0.00 C ATOM 866 SD MET A 57 -2.164 -8.265 -1.446 1.00 0.00 S ATOM 867 CE MET A 57 -1.514 -6.618 -1.218 1.00 0.00 C ATOM 0 H MET A 57 -2.019 -8.578 2.952 1.00 0.00 H new ATOM 0 HA MET A 57 -2.270 -11.039 1.649 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.467 -8.620 1.169 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.640 -9.933 0.021 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.258 -9.428 0.330 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.677 -7.859 0.851 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.275 -5.886 -1.488 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.231 -6.480 -0.174 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.638 -6.481 -1.852 1.00 0.00 H new ATOM 877 N ASP A 58 0.599 -10.541 3.148 1.00 0.00 N ATOM 878 CA ASP A 58 1.824 -11.189 3.586 1.00 0.00 C ATOM 879 C ASP A 58 1.497 -12.193 4.693 1.00 0.00 C ATOM 880 O ASP A 58 2.119 -13.250 4.781 1.00 0.00 O ATOM 881 CB ASP A 58 2.816 -10.170 4.149 1.00 0.00 C ATOM 882 CG ASP A 58 4.216 -10.719 4.433 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.319 -11.954 4.593 1.00 0.00 O ATOM 884 OD2 ASP A 58 5.150 -9.891 4.484 1.00 0.00 O ATOM 0 H ASP A 58 0.458 -9.601 3.518 1.00 0.00 H new ATOM 0 HA ASP A 58 2.269 -11.686 2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.903 -9.342 3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.408 -9.761 5.073 1.00 0.00 H new ATOM 889 N LEU A 59 0.520 -11.826 5.511 1.00 0.00 N ATOM 890 CA LEU A 59 0.103 -12.682 6.609 1.00 0.00 C ATOM 891 C LEU A 59 -0.700 -13.860 6.055 1.00 0.00 C ATOM 892 O LEU A 59 -1.091 -14.755 6.802 1.00 0.00 O ATOM 893 CB LEU A 59 -0.647 -11.869 7.666 1.00 0.00 C ATOM 894 CG LEU A 59 0.209 -11.273 8.786 1.00 0.00 C ATOM 895 CD1 LEU A 59 -0.025 -9.766 8.911 1.00 0.00 C ATOM 896 CD2 LEU A 59 -0.033 -12.003 10.108 1.00 0.00 C ATOM 0 H LEU A 59 0.006 -10.948 5.435 1.00 0.00 H new ATOM 0 HA LEU A 59 0.972 -13.100 7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.172 -11.056 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.406 -12.509 8.117 1.00 0.00 H new ATOM 0 HG LEU A 59 1.258 -11.415 8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.595 -9.367 9.714 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.238 -9.278 7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.075 -9.578 9.136 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.587 -11.560 10.887 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.083 -11.914 10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.224 -13.056 9.994 1.00 0.00 H new ATOM 908 N GLU A 60 -0.922 -13.822 4.749 1.00 0.00 N ATOM 909 CA GLU A 60 -1.672 -14.876 4.087 1.00 0.00 C ATOM 910 C GLU A 60 -0.742 -15.718 3.211 1.00 0.00 C ATOM 911 O GLU A 60 -0.824 -16.946 3.215 1.00 0.00 O ATOM 912 CB GLU A 60 -2.824 -14.295 3.264 1.00 0.00 C ATOM 913 CG GLU A 60 -3.957 -13.812 4.171 1.00 0.00 C ATOM 914 CD GLU A 60 -5.177 -14.729 4.060 1.00 0.00 C ATOM 915 OE1 GLU A 60 -5.052 -15.894 4.496 1.00 0.00 O ATOM 916 OE2 GLU A 60 -6.206 -14.244 3.543 1.00 0.00 O ATOM 0 H GLU A 60 -0.596 -13.078 4.132 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.105 -15.523 4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.460 -13.466 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.202 -15.051 2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.613 -13.782 5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.237 -12.794 3.899 1.00 0.00 H new ATOM 923 N VAL A 61 0.120 -15.026 2.481 1.00 0.00 N ATOM 924 CA VAL A 61 1.063 -15.695 1.602 1.00 0.00 C ATOM 925 C VAL A 61 1.895 -16.689 2.416 1.00 0.00 C ATOM 926 O VAL A 61 2.508 -17.596 1.855 1.00 0.00 O ATOM 927 CB VAL A 61 1.919 -14.660 0.868 1.00 0.00 C ATOM 928 CG1 VAL A 61 3.355 -15.159 0.695 1.00 0.00 C ATOM 929 CG2 VAL A 61 1.299 -14.296 -0.483 1.00 0.00 C ATOM 0 H VAL A 61 0.185 -14.008 2.480 1.00 0.00 H new ATOM 0 HA VAL A 61 0.535 -16.263 0.836 1.00 0.00 H new ATOM 0 HB VAL A 61 1.950 -13.757 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.942 -14.405 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.796 -15.345 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.352 -16.083 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.926 -13.559 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.224 -15.190 -1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.304 -13.879 -0.326 1.00 0.00 H new ATOM 939 N ARG A 62 1.889 -16.484 3.725 1.00 0.00 N ATOM 940 CA ARG A 62 2.635 -17.350 4.621 1.00 0.00 C ATOM 941 C ARG A 62 2.125 -18.789 4.516 1.00 0.00 C ATOM 942 O ARG A 62 2.908 -19.717 4.320 1.00 0.00 O ATOM 943 CB ARG A 62 2.514 -16.878 6.071 1.00 0.00 C ATOM 944 CG ARG A 62 3.867 -16.410 6.610 1.00 0.00 C ATOM 945 CD ARG A 62 3.692 -15.269 7.615 1.00 0.00 C ATOM 946 NE ARG A 62 4.802 -15.282 8.594 1.00 0.00 N ATOM 947 CZ ARG A 62 4.905 -16.159 9.602 1.00 0.00 C ATOM 948 NH1 ARG A 62 3.966 -17.100 9.770 1.00 0.00 N ATOM 949 NH2 ARG A 62 5.948 -16.096 10.441 1.00 0.00 N ATOM 0 H ARG A 62 1.379 -15.731 4.186 1.00 0.00 H new ATOM 0 HA ARG A 62 3.683 -17.310 4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.792 -16.063 6.133 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.133 -17.690 6.691 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.381 -17.244 7.088 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.497 -16.079 5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.669 -14.313 7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.738 -15.372 8.133 1.00 0.00 H new ATOM 0 HE ARG A 62 5.535 -14.579 8.495 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.173 -17.149 9.131 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.044 -17.768 10.537 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.663 -15.380 10.312 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.026 -16.764 11.208 1.00 0.00 H new ATOM 963 N GLU A 63 0.814 -18.929 4.651 1.00 0.00 N ATOM 964 CA GLU A 63 0.190 -20.238 4.574 1.00 0.00 C ATOM 965 C GLU A 63 0.384 -20.838 3.179 1.00 0.00 C ATOM 966 O GLU A 63 0.573 -22.045 3.039 1.00 0.00 O ATOM 967 CB GLU A 63 -1.295 -20.160 4.935 1.00 0.00 C ATOM 968 CG GLU A 63 -1.487 -20.078 6.451 1.00 0.00 C ATOM 969 CD GLU A 63 -2.048 -21.389 7.004 1.00 0.00 C ATOM 970 OE1 GLU A 63 -1.232 -22.312 7.213 1.00 0.00 O ATOM 971 OE2 GLU A 63 -3.281 -21.438 7.206 1.00 0.00 O ATOM 0 H GLU A 63 0.167 -18.157 4.813 1.00 0.00 H new ATOM 0 HA GLU A 63 0.673 -20.892 5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.743 -19.287 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.814 -21.036 4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.534 -19.855 6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.164 -19.258 6.692 1.00 0.00 H new ATOM 978 N ILE A 64 0.329 -19.966 2.183 1.00 0.00 N ATOM 979 CA ILE A 64 0.497 -20.394 0.804 1.00 0.00 C ATOM 980 C ILE A 64 1.713 -21.316 0.705 1.00 0.00 C ATOM 981 O ILE A 64 2.717 -21.101 1.383 1.00 0.00 O ATOM 982 CB ILE A 64 0.566 -19.183 -0.128 1.00 0.00 C ATOM 983 CG1 ILE A 64 -0.743 -18.390 -0.095 1.00 0.00 C ATOM 984 CG2 ILE A 64 0.945 -19.605 -1.549 1.00 0.00 C ATOM 985 CD1 ILE A 64 -0.872 -17.493 -1.328 1.00 0.00 C ATOM 0 H ILE A 64 0.171 -18.966 2.303 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.368 -20.971 0.476 1.00 0.00 H new ATOM 0 HB ILE A 64 1.353 -18.520 0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.588 -19.077 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.781 -17.781 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.987 -18.725 -2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.920 -20.092 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.198 -20.299 -1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.811 -16.941 -1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.039 -16.791 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.859 -18.108 -2.228 1.00 0.00 H new ATOM 997 N PRO A 65 1.581 -22.351 -0.167 1.00 0.00 N ATOM 998 CA PRO A 65 2.657 -23.307 -0.364 1.00 0.00 C ATOM 999 C PRO A 65 3.784 -22.699 -1.202 1.00 0.00 C ATOM 1000 O PRO A 65 3.599 -21.664 -1.840 1.00 0.00 O ATOM 1001 CB PRO A 65 2.002 -24.506 -1.030 1.00 0.00 C ATOM 1002 CG PRO A 65 0.688 -23.999 -1.601 1.00 0.00 C ATOM 1003 CD PRO A 65 0.407 -22.637 -0.987 1.00 0.00 C ATOM 0 HA PRO A 65 3.135 -23.600 0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.639 -24.912 -1.816 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.832 -25.308 -0.311 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.748 -23.923 -2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.120 -24.694 -1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.266 -21.877 -1.756 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.502 -22.654 -0.385 1.00 0.00 H new ATOM 1011 N PRO A 66 4.957 -23.386 -1.172 1.00 0.00 N ATOM 1012 CA PRO A 66 6.114 -22.926 -1.921 1.00 0.00 C ATOM 1013 C PRO A 66 5.947 -23.207 -3.416 1.00 0.00 C ATOM 1014 O PRO A 66 6.838 -22.911 -4.210 1.00 0.00 O ATOM 1015 CB PRO A 66 7.296 -23.656 -1.307 1.00 0.00 C ATOM 1016 CG PRO A 66 6.710 -24.840 -0.555 1.00 0.00 C ATOM 1017 CD PRO A 66 5.213 -24.616 -0.427 1.00 0.00 C ATOM 0 HA PRO A 66 6.254 -21.847 -1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.992 -23.988 -2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.852 -23.003 -0.635 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.913 -25.769 -1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.168 -24.931 0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.651 -25.453 -0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.915 -24.516 0.617 1.00 0.00 H new ATOM 1025 N GLN A 67 4.799 -23.776 -3.753 1.00 0.00 N ATOM 1026 CA GLN A 67 4.504 -24.101 -5.138 1.00 0.00 C ATOM 1027 C GLN A 67 3.679 -22.985 -5.782 1.00 0.00 C ATOM 1028 O GLN A 67 3.910 -22.623 -6.934 1.00 0.00 O ATOM 1029 CB GLN A 67 3.782 -25.446 -5.244 1.00 0.00 C ATOM 1030 CG GLN A 67 4.715 -26.600 -4.873 1.00 0.00 C ATOM 1031 CD GLN A 67 4.754 -26.809 -3.358 1.00 0.00 C ATOM 1032 OE1 GLN A 67 3.783 -26.595 -2.651 1.00 0.00 O ATOM 1033 NE2 GLN A 67 5.927 -27.237 -2.901 1.00 0.00 N ATOM 0 H GLN A 67 4.062 -24.020 -3.091 1.00 0.00 H new ATOM 0 HA GLN A 67 5.447 -24.188 -5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.914 -25.450 -4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.412 -25.585 -6.260 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.379 -27.515 -5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.720 -26.393 -5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.699 -27.396 -3.548 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.055 -27.406 -1.903 1.00 0.00 H new ATOM 1042 N SER A 68 2.735 -22.469 -5.009 1.00 0.00 N ATOM 1043 CA SER A 68 1.874 -21.401 -5.489 1.00 0.00 C ATOM 1044 C SER A 68 2.555 -20.047 -5.279 1.00 0.00 C ATOM 1045 O SER A 68 2.524 -19.190 -6.161 1.00 0.00 O ATOM 1046 CB SER A 68 0.517 -21.428 -4.783 1.00 0.00 C ATOM 1047 OG SER A 68 -0.306 -20.330 -5.168 1.00 0.00 O ATOM 0 H SER A 68 2.547 -22.771 -4.053 1.00 0.00 H new ATOM 0 HA SER A 68 1.701 -21.553 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.006 -22.363 -5.014 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.669 -21.406 -3.704 1.00 0.00 H new ATOM 0 HG SER A 68 -1.164 -20.383 -4.697 1.00 0.00 H new ATOM 1053 N ARG A 69 3.154 -19.897 -4.107 1.00 0.00 N ATOM 1054 CA ARG A 69 3.841 -18.662 -3.770 1.00 0.00 C ATOM 1055 C ARG A 69 4.739 -18.221 -4.929 1.00 0.00 C ATOM 1056 O ARG A 69 4.962 -17.028 -5.126 1.00 0.00 O ATOM 1057 CB ARG A 69 4.693 -18.831 -2.510 1.00 0.00 C ATOM 1058 CG ARG A 69 4.077 -18.081 -1.328 1.00 0.00 C ATOM 1059 CD ARG A 69 5.091 -17.918 -0.193 1.00 0.00 C ATOM 1060 NE ARG A 69 6.124 -16.930 -0.576 1.00 0.00 N ATOM 1061 CZ ARG A 69 7.002 -16.391 0.281 1.00 0.00 C ATOM 1062 NH1 ARG A 69 6.978 -16.742 1.574 1.00 0.00 N ATOM 1063 NH2 ARG A 69 7.904 -15.501 -0.155 1.00 0.00 N ATOM 0 H ARG A 69 3.178 -20.611 -3.379 1.00 0.00 H new ATOM 0 HA ARG A 69 3.083 -17.902 -3.583 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.783 -19.890 -2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 69 5.701 -18.460 -2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.731 -17.100 -1.655 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.203 -18.622 -0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.584 -17.593 0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.558 -18.877 0.029 1.00 0.00 H new ATOM 0 HE ARG A 69 6.171 -16.641 -1.553 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.291 -17.419 1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.646 -16.332 2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.922 -15.234 -1.139 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.572 -15.091 0.497 1.00 0.00 H new ATOM 1077 N GLY A 70 5.229 -19.208 -5.664 1.00 0.00 N ATOM 1078 CA GLY A 70 6.097 -18.937 -6.798 1.00 0.00 C ATOM 1079 C GLY A 70 5.649 -17.677 -7.542 1.00 0.00 C ATOM 1080 O GLY A 70 6.479 -16.920 -8.042 1.00 0.00 O ATOM 0 H GLY A 70 5.042 -20.197 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.124 -18.815 -6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.088 -19.788 -7.479 1.00 0.00 H new ATOM 1084 N MET A 71 4.338 -17.492 -7.591 1.00 0.00 N ATOM 1085 CA MET A 71 3.771 -16.337 -8.266 1.00 0.00 C ATOM 1086 C MET A 71 3.567 -15.177 -7.289 1.00 0.00 C ATOM 1087 O MET A 71 4.193 -14.127 -7.427 1.00 0.00 O ATOM 1088 CB MET A 71 2.428 -16.720 -8.892 1.00 0.00 C ATOM 1089 CG MET A 71 2.609 -17.176 -10.341 1.00 0.00 C ATOM 1090 SD MET A 71 2.275 -18.925 -10.476 1.00 0.00 S ATOM 1091 CE MET A 71 3.572 -19.401 -11.607 1.00 0.00 C ATOM 0 H MET A 71 3.653 -18.122 -7.175 1.00 0.00 H new ATOM 0 HA MET A 71 4.465 -16.016 -9.042 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.966 -17.518 -8.311 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.750 -15.867 -8.857 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.938 -16.618 -10.993 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.625 -16.965 -10.673 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.510 -20.472 -11.802 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.457 -18.854 -12.543 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.542 -19.168 -11.167 1.00 0.00 H new ATOM 1101 N TYR A 72 2.689 -15.406 -6.324 1.00 0.00 N ATOM 1102 CA TYR A 72 2.394 -14.393 -5.325 1.00 0.00 C ATOM 1103 C TYR A 72 3.675 -13.702 -4.851 1.00 0.00 C ATOM 1104 O TYR A 72 3.728 -12.475 -4.769 1.00 0.00 O ATOM 1105 CB TYR A 72 1.764 -15.135 -4.145 1.00 0.00 C ATOM 1106 CG TYR A 72 0.776 -14.293 -3.336 1.00 0.00 C ATOM 1107 CD1 TYR A 72 1.058 -12.969 -3.064 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -0.398 -14.856 -2.878 1.00 0.00 C ATOM 1109 CE1 TYR A 72 0.128 -12.176 -2.303 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -1.328 -14.063 -2.117 1.00 0.00 C ATOM 1111 CZ TYR A 72 -1.019 -12.762 -1.867 1.00 0.00 C ATOM 1112 OH TYR A 72 -1.898 -12.013 -1.148 1.00 0.00 O ATOM 0 H TYR A 72 2.172 -16.278 -6.213 1.00 0.00 H new ATOM 0 HA TYR A 72 1.736 -13.628 -5.737 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.250 -16.021 -4.519 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.557 -15.482 -3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.977 -12.528 -3.422 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.619 -15.892 -3.091 1.00 0.00 H new ATOM 0 HE1 TYR A 72 0.337 -11.139 -2.083 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.250 -14.491 -1.753 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.672 -12.562 -0.904 1.00 0.00 H new ATOM 1122 N SER A 73 4.674 -14.518 -4.553 1.00 0.00 N ATOM 1123 CA SER A 73 5.951 -14.000 -4.090 1.00 0.00 C ATOM 1124 C SER A 73 6.465 -12.933 -5.058 1.00 0.00 C ATOM 1125 O SER A 73 6.573 -11.762 -4.697 1.00 0.00 O ATOM 1126 CB SER A 73 6.979 -15.123 -3.942 1.00 0.00 C ATOM 1127 OG SER A 73 6.437 -16.260 -3.276 1.00 0.00 O ATOM 0 H SER A 73 4.626 -15.534 -4.623 1.00 0.00 H new ATOM 0 HA SER A 73 5.802 -13.549 -3.109 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.338 -15.418 -4.928 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.841 -14.754 -3.386 1.00 0.00 H new ATOM 0 HG SER A 73 5.529 -16.428 -3.603 1.00 0.00 H new ATOM 1133 N ASN A 74 6.769 -13.376 -6.269 1.00 0.00 N ATOM 1134 CA ASN A 74 7.269 -12.474 -7.292 1.00 0.00 C ATOM 1135 C ASN A 74 6.508 -11.149 -7.214 1.00 0.00 C ATOM 1136 O ASN A 74 7.109 -10.078 -7.290 1.00 0.00 O ATOM 1137 CB ASN A 74 7.060 -13.057 -8.691 1.00 0.00 C ATOM 1138 CG ASN A 74 8.368 -13.057 -9.486 1.00 0.00 C ATOM 1139 OD1 ASN A 74 9.158 -12.129 -9.432 1.00 0.00 O ATOM 1140 ND2 ASN A 74 8.552 -14.148 -10.224 1.00 0.00 N ATOM 0 H ASN A 74 6.679 -14.348 -6.565 1.00 0.00 H new ATOM 0 HA ASN A 74 8.335 -12.326 -7.119 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.679 -14.075 -8.611 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.307 -12.475 -9.223 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.395 -14.244 -10.790 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.850 -14.888 -10.224 1.00 0.00 H new ATOM 1147 N ARG A 75 5.196 -11.264 -7.064 1.00 0.00 N ATOM 1148 CA ARG A 75 4.347 -10.089 -6.975 1.00 0.00 C ATOM 1149 C ARG A 75 4.591 -9.356 -5.654 1.00 0.00 C ATOM 1150 O ARG A 75 4.915 -8.170 -5.649 1.00 0.00 O ATOM 1151 CB ARG A 75 2.868 -10.470 -7.073 1.00 0.00 C ATOM 1152 CG ARG A 75 2.317 -10.173 -8.469 1.00 0.00 C ATOM 1153 CD ARG A 75 2.277 -8.667 -8.734 1.00 0.00 C ATOM 1154 NE ARG A 75 2.092 -8.413 -10.180 1.00 0.00 N ATOM 1155 CZ ARG A 75 2.286 -7.223 -10.765 1.00 0.00 C ATOM 1156 NH1 ARG A 75 2.673 -6.171 -10.030 1.00 0.00 N ATOM 1157 NH2 ARG A 75 2.094 -7.084 -12.084 1.00 0.00 N ATOM 0 H ARG A 75 4.701 -12.154 -7.002 1.00 0.00 H new ATOM 0 HA ARG A 75 4.598 -9.434 -7.809 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.746 -11.529 -6.848 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.296 -9.918 -6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.938 -10.662 -9.220 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.314 -10.589 -8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.464 -8.211 -8.169 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.202 -8.204 -8.390 1.00 0.00 H new ATOM 0 HE ARG A 75 1.798 -9.193 -10.768 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.820 -6.277 -9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.821 -5.265 -10.475 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.800 -7.884 -12.644 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.242 -6.178 -12.528 1.00 0.00 H new ATOM 1171 N MET A 76 4.427 -10.094 -4.566 1.00 0.00 N ATOM 1172 CA MET A 76 4.626 -9.529 -3.242 1.00 0.00 C ATOM 1173 C MET A 76 5.802 -8.550 -3.235 1.00 0.00 C ATOM 1174 O MET A 76 5.654 -7.400 -2.824 1.00 0.00 O ATOM 1175 CB MET A 76 4.893 -10.655 -2.241 1.00 0.00 C ATOM 1176 CG MET A 76 3.616 -11.033 -1.488 1.00 0.00 C ATOM 1177 SD MET A 76 3.643 -10.328 0.152 1.00 0.00 S ATOM 1178 CE MET A 76 2.102 -9.427 0.126 1.00 0.00 C ATOM 0 H MET A 76 4.159 -11.078 -4.574 1.00 0.00 H new ATOM 0 HA MET A 76 3.724 -8.986 -2.960 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.282 -11.528 -2.765 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.659 -10.342 -1.531 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.743 -10.674 -2.033 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.529 -12.118 -1.425 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.736 -9.302 1.145 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.261 -8.448 -0.325 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.367 -9.981 -0.458 1.00 0.00 H new ATOM 1188 N ARG A 77 6.943 -9.042 -3.694 1.00 0.00 N ATOM 1189 CA ARG A 77 8.143 -8.224 -3.746 1.00 0.00 C ATOM 1190 C ARG A 77 7.839 -6.876 -4.401 1.00 0.00 C ATOM 1191 O ARG A 77 8.205 -5.828 -3.870 1.00 0.00 O ATOM 1192 CB ARG A 77 9.254 -8.926 -4.530 1.00 0.00 C ATOM 1193 CG ARG A 77 10.430 -9.281 -3.617 1.00 0.00 C ATOM 1194 CD ARG A 77 11.125 -8.020 -3.102 1.00 0.00 C ATOM 1195 NE ARG A 77 12.062 -8.368 -2.011 1.00 0.00 N ATOM 1196 CZ ARG A 77 13.241 -8.976 -2.198 1.00 0.00 C ATOM 1197 NH1 ARG A 77 13.635 -9.307 -3.435 1.00 0.00 N ATOM 1198 NH2 ARG A 77 14.026 -9.253 -1.148 1.00 0.00 N ATOM 0 H ARG A 77 7.062 -9.997 -4.033 1.00 0.00 H new ATOM 0 HA ARG A 77 8.481 -8.065 -2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.861 -9.832 -4.992 1.00 0.00 H new ATOM 0 HB3 ARG A 77 9.598 -8.280 -5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 77 10.075 -9.874 -2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 77 11.145 -9.898 -4.162 1.00 0.00 H new ATOM 0 HD2 ARG A 77 11.665 -7.535 -3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.383 -7.307 -2.742 1.00 0.00 H new ATOM 0 HE ARG A 77 11.793 -8.130 -1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 77 13.037 -9.096 -4.234 1.00 0.00 H new ATOM 0 HH12 ARG A 77 14.533 -9.770 -3.578 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.726 -9.001 -0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.924 -9.716 -1.290 1.00 0.00 H new ATOM 1212 N SER A 78 7.174 -6.946 -5.544 1.00 0.00 N ATOM 1213 CA SER A 78 6.817 -5.743 -6.277 1.00 0.00 C ATOM 1214 C SER A 78 6.057 -4.780 -5.363 1.00 0.00 C ATOM 1215 O SER A 78 6.546 -3.694 -5.056 1.00 0.00 O ATOM 1216 CB SER A 78 5.976 -6.079 -7.511 1.00 0.00 C ATOM 1217 OG SER A 78 6.469 -5.437 -8.684 1.00 0.00 O ATOM 0 H SER A 78 6.873 -7.817 -5.981 1.00 0.00 H new ATOM 0 HA SER A 78 7.735 -5.264 -6.616 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.971 -7.158 -7.663 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.943 -5.777 -7.339 1.00 0.00 H new ATOM 0 HG SER A 78 5.907 -5.678 -9.450 1.00 0.00 H new ATOM 1223 N TYR A 79 4.872 -5.212 -4.955 1.00 0.00 N ATOM 1224 CA TYR A 79 4.040 -4.401 -4.083 1.00 0.00 C ATOM 1225 C TYR A 79 4.879 -3.729 -2.994 1.00 0.00 C ATOM 1226 O TYR A 79 4.978 -2.504 -2.949 1.00 0.00 O ATOM 1227 CB TYR A 79 3.052 -5.366 -3.426 1.00 0.00 C ATOM 1228 CG TYR A 79 2.113 -6.063 -4.413 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.713 -5.412 -5.562 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.667 -7.343 -4.154 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.830 -6.068 -6.491 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.783 -7.999 -5.083 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.408 -7.329 -6.205 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.426 -7.948 -7.083 1.00 0.00 O ATOM 0 H TYR A 79 4.469 -6.113 -5.212 1.00 0.00 H new ATOM 0 HA TYR A 79 3.542 -3.615 -4.650 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.611 -6.123 -2.876 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.455 -4.818 -2.697 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.062 -4.410 -5.764 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.981 -7.853 -3.255 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.510 -5.570 -7.394 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.426 -9.000 -4.893 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.455 -8.907 -6.886 1.00 0.00 H new ATOM 1244 N LYS A 80 5.462 -4.561 -2.143 1.00 0.00 N ATOM 1245 CA LYS A 80 6.289 -4.062 -1.057 1.00 0.00 C ATOM 1246 C LYS A 80 7.202 -2.954 -1.585 1.00 0.00 C ATOM 1247 O LYS A 80 7.307 -1.889 -0.978 1.00 0.00 O ATOM 1248 CB LYS A 80 7.042 -5.213 -0.386 1.00 0.00 C ATOM 1249 CG LYS A 80 6.073 -6.294 0.098 1.00 0.00 C ATOM 1250 CD LYS A 80 6.581 -6.950 1.383 1.00 0.00 C ATOM 1251 CE LYS A 80 5.451 -7.106 2.403 1.00 0.00 C ATOM 1252 NZ LYS A 80 5.612 -6.133 3.507 1.00 0.00 N ATOM 0 H LYS A 80 5.378 -5.577 -2.184 1.00 0.00 H new ATOM 0 HA LYS A 80 5.669 -3.619 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.753 -5.646 -1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.619 -4.833 0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.091 -5.855 0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.950 -7.051 -0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.006 -7.927 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.382 -6.347 1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.488 -6.955 1.914 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.450 -8.121 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.837 -6.252 4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.522 -6.296 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.590 -5.166 3.124 1.00 0.00 H new ATOM 1266 N GLN A 81 7.841 -3.243 -2.709 1.00 0.00 N ATOM 1267 CA GLN A 81 8.742 -2.285 -3.325 1.00 0.00 C ATOM 1268 C GLN A 81 7.993 -0.994 -3.665 1.00 0.00 C ATOM 1269 O GLN A 81 8.363 0.083 -3.200 1.00 0.00 O ATOM 1270 CB GLN A 81 9.405 -2.877 -4.570 1.00 0.00 C ATOM 1271 CG GLN A 81 10.746 -3.526 -4.221 1.00 0.00 C ATOM 1272 CD GLN A 81 11.903 -2.548 -4.442 1.00 0.00 C ATOM 1273 OE1 GLN A 81 12.602 -2.590 -5.441 1.00 0.00 O ATOM 1274 NE2 GLN A 81 12.063 -1.669 -3.458 1.00 0.00 N ATOM 0 H GLN A 81 7.752 -4.128 -3.209 1.00 0.00 H new ATOM 0 HA GLN A 81 9.531 -2.048 -2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.745 -3.618 -5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.558 -2.094 -5.312 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.736 -3.854 -3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.894 -4.415 -4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.442 -1.690 -2.649 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.807 -0.973 -3.511 1.00 0.00 H new ATOM 1283 N GLU A 82 6.954 -1.146 -4.473 1.00 0.00 N ATOM 1284 CA GLU A 82 6.151 -0.006 -4.880 1.00 0.00 C ATOM 1285 C GLU A 82 5.618 0.734 -3.652 1.00 0.00 C ATOM 1286 O GLU A 82 5.857 1.930 -3.491 1.00 0.00 O ATOM 1287 CB GLU A 82 5.005 -0.442 -5.797 1.00 0.00 C ATOM 1288 CG GLU A 82 4.144 0.755 -6.206 1.00 0.00 C ATOM 1289 CD GLU A 82 4.481 1.213 -7.626 1.00 0.00 C ATOM 1290 OE1 GLU A 82 4.458 0.342 -8.523 1.00 0.00 O ATOM 1291 OE2 GLU A 82 4.754 2.422 -7.783 1.00 0.00 O ATOM 0 H GLU A 82 6.650 -2.041 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 82 6.786 0.677 -5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.410 -0.924 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.387 -1.181 -5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.089 0.486 -6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.302 1.577 -5.508 1.00 0.00 H new ATOM 1298 N MET A 83 4.907 -0.008 -2.816 1.00 0.00 N ATOM 1299 CA MET A 83 4.339 0.563 -1.606 1.00 0.00 C ATOM 1300 C MET A 83 5.336 1.500 -0.922 1.00 0.00 C ATOM 1301 O MET A 83 5.091 2.701 -0.813 1.00 0.00 O ATOM 1302 CB MET A 83 3.951 -0.561 -0.644 1.00 0.00 C ATOM 1303 CG MET A 83 2.550 -0.335 -0.072 1.00 0.00 C ATOM 1304 SD MET A 83 2.642 0.709 1.373 1.00 0.00 S ATOM 1305 CE MET A 83 1.314 1.848 1.018 1.00 0.00 C ATOM 0 H MET A 83 4.711 -1.000 -2.952 1.00 0.00 H new ATOM 0 HA MET A 83 3.455 1.140 -1.879 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.985 -1.518 -1.165 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.675 -0.615 0.169 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.911 0.127 -0.825 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.096 -1.291 0.188 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.355 2.683 1.717 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.418 2.222 -0.001 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.358 1.335 1.121 1.00 0.00 H new ATOM 1315 N GLY A 84 6.439 0.916 -0.478 1.00 0.00 N ATOM 1316 CA GLY A 84 7.474 1.684 0.194 1.00 0.00 C ATOM 1317 C GLY A 84 7.821 2.946 -0.599 1.00 0.00 C ATOM 1318 O GLY A 84 8.061 4.003 -0.016 1.00 0.00 O ATOM 0 H GLY A 84 6.639 -0.080 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.137 1.959 1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.366 1.070 0.316 1.00 0.00 H new ATOM 1322 N LYS A 85 7.837 2.795 -1.915 1.00 0.00 N ATOM 1323 CA LYS A 85 8.151 3.909 -2.793 1.00 0.00 C ATOM 1324 C LYS A 85 7.033 4.950 -2.708 1.00 0.00 C ATOM 1325 O LYS A 85 7.300 6.149 -2.635 1.00 0.00 O ATOM 1326 CB LYS A 85 8.421 3.412 -4.214 1.00 0.00 C ATOM 1327 CG LYS A 85 8.751 4.577 -5.149 1.00 0.00 C ATOM 1328 CD LYS A 85 9.752 4.150 -6.225 1.00 0.00 C ATOM 1329 CE LYS A 85 11.059 4.936 -6.101 1.00 0.00 C ATOM 1330 NZ LYS A 85 11.121 6.002 -7.125 1.00 0.00 N ATOM 0 H LYS A 85 7.637 1.917 -2.395 1.00 0.00 H new ATOM 0 HA LYS A 85 9.070 4.400 -2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.249 2.703 -4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.548 2.877 -4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.838 4.940 -5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.163 5.405 -4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.955 3.083 -6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.320 4.310 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.134 5.375 -5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.908 4.262 -6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.014 6.526 -7.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.071 5.576 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.321 6.654 -6.996 1.00 0.00 H new ATOM 1344 N LEU A 86 5.804 4.455 -2.719 1.00 0.00 N ATOM 1345 CA LEU A 86 4.645 5.327 -2.644 1.00 0.00 C ATOM 1346 C LEU A 86 4.798 6.270 -1.450 1.00 0.00 C ATOM 1347 O LEU A 86 4.257 7.375 -1.454 1.00 0.00 O ATOM 1348 CB LEU A 86 3.355 4.503 -2.616 1.00 0.00 C ATOM 1349 CG LEU A 86 2.708 4.224 -3.974 1.00 0.00 C ATOM 1350 CD1 LEU A 86 1.881 2.937 -3.932 1.00 0.00 C ATOM 1351 CD2 LEU A 86 1.881 5.422 -4.445 1.00 0.00 C ATOM 0 H LEU A 86 5.586 3.460 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 86 4.579 5.950 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.567 3.549 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.629 5.022 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 86 3.501 4.074 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.432 2.761 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.527 2.098 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.095 3.034 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.432 5.197 -5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.094 5.629 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.526 6.295 -4.539 1.00 0.00 H new ATOM 1363 N GLU A 87 5.537 5.800 -0.456 1.00 0.00 N ATOM 1364 CA GLU A 87 5.768 6.588 0.743 1.00 0.00 C ATOM 1365 C GLU A 87 6.763 7.714 0.454 1.00 0.00 C ATOM 1366 O GLU A 87 6.574 8.844 0.900 1.00 0.00 O ATOM 1367 CB GLU A 87 6.257 5.706 1.893 1.00 0.00 C ATOM 1368 CG GLU A 87 5.128 5.424 2.886 1.00 0.00 C ATOM 1369 CD GLU A 87 5.619 5.565 4.329 1.00 0.00 C ATOM 1370 OE1 GLU A 87 6.811 5.262 4.554 1.00 0.00 O ATOM 1371 OE2 GLU A 87 4.792 5.972 5.173 1.00 0.00 O ATOM 0 H GLU A 87 5.984 4.883 -0.456 1.00 0.00 H new ATOM 0 HA GLU A 87 4.822 7.035 1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.641 4.766 1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.084 6.197 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.303 6.114 2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.741 4.417 2.726 1.00 0.00 H new ATOM 1378 N THR A 88 7.802 7.366 -0.291 1.00 0.00 N ATOM 1379 CA THR A 88 8.827 8.333 -0.645 1.00 0.00 C ATOM 1380 C THR A 88 8.317 9.277 -1.735 1.00 0.00 C ATOM 1381 O THR A 88 8.240 10.487 -1.528 1.00 0.00 O ATOM 1382 CB THR A 88 10.086 7.562 -1.048 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.750 7.311 0.187 1.00 0.00 O ATOM 1384 CG2 THR A 88 11.074 8.426 -1.834 1.00 0.00 C ATOM 0 H THR A 88 7.956 6.427 -0.659 1.00 0.00 H new ATOM 0 HA THR A 88 9.077 8.972 0.202 1.00 0.00 H new ATOM 0 HB THR A 88 9.805 6.696 -1.647 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.577 6.813 0.018 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.949 7.831 -2.095 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.596 8.788 -2.744 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.381 9.275 -1.223 1.00 0.00 H new ATOM 1392 N ASP A 89 7.980 8.687 -2.873 1.00 0.00 N ATOM 1393 CA ASP A 89 7.478 9.461 -3.996 1.00 0.00 C ATOM 1394 C ASP A 89 6.418 10.445 -3.500 1.00 0.00 C ATOM 1395 O ASP A 89 6.274 11.537 -4.047 1.00 0.00 O ATOM 1396 CB ASP A 89 6.829 8.553 -5.043 1.00 0.00 C ATOM 1397 CG ASP A 89 7.677 8.293 -6.289 1.00 0.00 C ATOM 1398 OD1 ASP A 89 8.656 9.047 -6.477 1.00 0.00 O ATOM 1399 OD2 ASP A 89 7.327 7.346 -7.026 1.00 0.00 O ATOM 0 H ASP A 89 8.045 7.683 -3.041 1.00 0.00 H new ATOM 0 HA ASP A 89 8.320 9.987 -4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.593 7.597 -4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.883 8.998 -5.352 1.00 0.00 H new ATOM 1404 N PHE A 90 5.702 10.023 -2.468 1.00 0.00 N ATOM 1405 CA PHE A 90 4.658 10.854 -1.891 1.00 0.00 C ATOM 1406 C PHE A 90 5.257 12.055 -1.156 1.00 0.00 C ATOM 1407 O PHE A 90 4.802 13.184 -1.331 1.00 0.00 O ATOM 1408 CB PHE A 90 3.898 9.984 -0.888 1.00 0.00 C ATOM 1409 CG PHE A 90 3.104 10.781 0.150 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.397 11.878 -0.231 1.00 0.00 C ATOM 1411 CD2 PHE A 90 3.106 10.392 1.453 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.661 12.618 0.732 1.00 0.00 C ATOM 1413 CE2 PHE A 90 2.370 11.131 2.416 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.662 12.228 2.035 1.00 0.00 C ATOM 0 H PHE A 90 5.824 9.117 -2.016 1.00 0.00 H new ATOM 0 HA PHE A 90 4.006 11.232 -2.678 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.214 9.333 -1.432 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.608 9.339 -0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.395 12.187 -1.266 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.668 9.521 1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.101 13.490 0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.372 10.822 3.451 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.101 12.789 2.767 1.00 0.00 H new ATOM 1424 N LYS A 91 6.269 11.770 -0.350 1.00 0.00 N ATOM 1425 CA LYS A 91 6.935 12.813 0.412 1.00 0.00 C ATOM 1426 C LYS A 91 7.703 13.727 -0.545 1.00 0.00 C ATOM 1427 O LYS A 91 7.960 14.887 -0.229 1.00 0.00 O ATOM 1428 CB LYS A 91 7.807 12.201 1.510 1.00 0.00 C ATOM 1429 CG LYS A 91 9.275 12.150 1.080 1.00 0.00 C ATOM 1430 CD LYS A 91 10.110 11.344 2.077 1.00 0.00 C ATOM 1431 CE LYS A 91 11.563 11.233 1.610 1.00 0.00 C ATOM 1432 NZ LYS A 91 12.419 12.188 2.349 1.00 0.00 N ATOM 0 H LYS A 91 6.644 10.832 -0.208 1.00 0.00 H new ATOM 0 HA LYS A 91 6.203 13.434 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.712 12.788 2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.456 11.195 1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.352 11.702 0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.671 13.163 1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.074 11.821 3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.684 10.347 2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.924 10.216 1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.624 11.433 0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.402 12.100 2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.083 13.158 2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.374 11.978 3.367 1.00 0.00 H new ATOM 1446 N ARG A 92 8.048 13.168 -1.696 1.00 0.00 N ATOM 1447 CA ARG A 92 8.782 13.918 -2.702 1.00 0.00 C ATOM 1448 C ARG A 92 7.813 14.686 -3.603 1.00 0.00 C ATOM 1449 O ARG A 92 8.238 15.434 -4.482 1.00 0.00 O ATOM 1450 CB ARG A 92 9.642 12.991 -3.562 1.00 0.00 C ATOM 1451 CG ARG A 92 11.048 12.848 -2.978 1.00 0.00 C ATOM 1452 CD ARG A 92 11.901 11.902 -3.827 1.00 0.00 C ATOM 1453 NE ARG A 92 13.132 12.592 -4.271 1.00 0.00 N ATOM 1454 CZ ARG A 92 13.191 13.421 -5.323 1.00 0.00 C ATOM 1455 NH1 ARG A 92 12.089 13.667 -6.044 1.00 0.00 N ATOM 1456 NH2 ARG A 92 14.352 14.003 -5.654 1.00 0.00 N ATOM 0 H ARG A 92 7.833 12.205 -1.954 1.00 0.00 H new ATOM 0 HA ARG A 92 9.434 14.620 -2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.171 12.010 -3.629 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.704 13.384 -4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.525 13.826 -2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.985 12.470 -1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.160 11.015 -3.249 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.332 11.564 -4.693 1.00 0.00 H new ATOM 0 HE ARG A 92 13.989 12.427 -3.744 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.205 13.224 -5.792 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.133 14.298 -6.844 1.00 0.00 H new ATOM 0 HH21 ARG A 92 15.191 13.815 -5.105 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.396 14.634 -6.454 1.00 0.00 H new ATOM 1470 N SER A 93 6.529 14.475 -3.353 1.00 0.00 N ATOM 1471 CA SER A 93 5.496 15.139 -4.131 1.00 0.00 C ATOM 1472 C SER A 93 4.910 16.306 -3.334 1.00 0.00 C ATOM 1473 O SER A 93 4.636 17.367 -3.893 1.00 0.00 O ATOM 1474 CB SER A 93 4.390 14.158 -4.527 1.00 0.00 C ATOM 1475 OG SER A 93 3.387 14.050 -3.521 1.00 0.00 O ATOM 0 H SER A 93 6.180 13.854 -2.623 1.00 0.00 H new ATOM 0 HA SER A 93 5.949 15.523 -5.045 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.933 14.485 -5.461 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.825 13.176 -4.712 1.00 0.00 H new ATOM 0 HG SER A 93 3.775 13.651 -2.714 1.00 0.00 H new ATOM 1481 N ARG A 94 4.735 16.071 -2.042 1.00 0.00 N ATOM 1482 CA ARG A 94 4.187 17.091 -1.164 1.00 0.00 C ATOM 1483 C ARG A 94 5.207 18.210 -0.948 1.00 0.00 C ATOM 1484 O ARG A 94 4.867 19.275 -0.435 1.00 0.00 O ATOM 1485 CB ARG A 94 3.797 16.498 0.192 1.00 0.00 C ATOM 1486 CG ARG A 94 5.025 15.959 0.928 1.00 0.00 C ATOM 1487 CD ARG A 94 4.613 15.128 2.145 1.00 0.00 C ATOM 1488 NE ARG A 94 5.660 15.205 3.188 1.00 0.00 N ATOM 1489 CZ ARG A 94 5.449 14.945 4.486 1.00 0.00 C ATOM 1490 NH1 ARG A 94 4.228 14.591 4.908 1.00 0.00 N ATOM 1491 NH2 ARG A 94 6.459 15.040 5.361 1.00 0.00 N ATOM 0 H ARG A 94 4.963 15.190 -1.582 1.00 0.00 H new ATOM 0 HA ARG A 94 3.295 17.495 -1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.310 17.260 0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.074 15.695 0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.620 15.347 0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.656 16.789 1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.666 15.493 2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.457 14.090 1.851 1.00 0.00 H new ATOM 0 HE ARG A 94 6.601 15.473 2.901 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.459 14.519 4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.067 14.393 5.896 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.389 15.310 5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.298 14.842 6.349 1.00 0.00 H new ATOM 1505 N ILE A 95 6.438 17.932 -1.351 1.00 0.00 N ATOM 1506 CA ILE A 95 7.510 18.902 -1.209 1.00 0.00 C ATOM 1507 C ILE A 95 7.632 19.714 -2.499 1.00 0.00 C ATOM 1508 O ILE A 95 7.723 20.940 -2.459 1.00 0.00 O ATOM 1509 CB ILE A 95 8.809 18.208 -0.794 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.392 17.397 -1.953 1.00 0.00 C ATOM 1511 CG2 ILE A 95 8.598 17.351 0.456 1.00 0.00 C ATOM 1512 CD1 ILE A 95 10.710 16.733 -1.550 1.00 0.00 C ATOM 0 H ILE A 95 6.717 17.048 -1.776 1.00 0.00 H new ATOM 0 HA ILE A 95 7.282 19.607 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 95 9.539 18.976 -0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.677 16.635 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.557 18.049 -2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.537 16.869 0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.262 17.983 1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.845 16.590 0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.103 16.163 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 95 11.430 17.499 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 95 10.537 16.063 -0.708 1.00 0.00 H new ATOM 1524 N ALA A 96 7.629 18.998 -3.614 1.00 0.00 N ATOM 1525 CA ALA A 96 7.738 19.638 -4.914 1.00 0.00 C ATOM 1526 C ALA A 96 8.749 20.783 -4.832 1.00 0.00 C ATOM 1527 O ALA A 96 8.472 21.894 -5.281 1.00 0.00 O ATOM 1528 CB ALA A 96 6.356 20.112 -5.368 1.00 0.00 C ATOM 0 H ALA A 96 7.553 17.981 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 96 8.101 18.931 -5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.438 20.592 -6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.684 19.257 -5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.960 20.825 -4.645 1.00 0.00 H new ATOM 1534 N SER A 97 9.901 20.473 -4.254 1.00 0.00 N ATOM 1535 CA SER A 97 10.954 21.463 -4.107 1.00 0.00 C ATOM 1536 C SER A 97 12.310 20.767 -3.967 1.00 0.00 C ATOM 1537 O SER A 97 12.371 19.562 -3.731 1.00 0.00 O ATOM 1538 CB SER A 97 10.695 22.368 -2.900 1.00 0.00 C ATOM 1539 OG SER A 97 9.751 23.394 -3.196 1.00 0.00 O ATOM 0 H SER A 97 10.128 19.551 -3.882 1.00 0.00 H new ATOM 0 HA SER A 97 10.963 22.088 -5.000 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.328 21.767 -2.068 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.633 22.820 -2.578 1.00 0.00 H new ATOM 0 HG SER A 97 9.240 23.147 -3.995 1.00 0.00 H new ATOM 1545 N GLY A 98 13.363 21.557 -4.118 1.00 0.00 N ATOM 1546 CA GLY A 98 14.713 21.032 -4.011 1.00 0.00 C ATOM 1547 C GLY A 98 15.722 21.977 -4.667 1.00 0.00 C ATOM 1548 O GLY A 98 15.343 22.859 -5.437 1.00 0.00 O ATOM 0 H GLY A 98 13.308 22.557 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.970 20.891 -2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.765 20.052 -4.486 1.00 0.00 H new ATOM 1552 N PRO A 99 17.021 21.755 -4.331 1.00 0.00 N ATOM 1553 CA PRO A 99 18.087 22.576 -4.879 1.00 0.00 C ATOM 1554 C PRO A 99 18.367 22.210 -6.338 1.00 0.00 C ATOM 1555 O PRO A 99 18.495 23.089 -7.188 1.00 0.00 O ATOM 1556 CB PRO A 99 19.279 22.333 -3.967 1.00 0.00 C ATOM 1557 CG PRO A 99 18.979 21.041 -3.225 1.00 0.00 C ATOM 1558 CD PRO A 99 17.507 20.720 -3.423 1.00 0.00 C ATOM 0 HA PRO A 99 17.831 23.635 -4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 99 20.200 22.248 -4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 99 19.414 23.161 -3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 99 19.601 20.230 -3.604 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.207 21.148 -2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 99 17.372 19.725 -3.848 1.00 0.00 H new ATOM 0 HD3 PRO A 99 16.967 20.738 -2.476 1.00 0.00 H new ATOM 1566 N SER A 100 18.452 20.910 -6.582 1.00 0.00 N ATOM 1567 CA SER A 100 18.714 20.417 -7.924 1.00 0.00 C ATOM 1568 C SER A 100 18.046 19.055 -8.120 1.00 0.00 C ATOM 1569 O SER A 100 17.238 18.881 -9.031 1.00 0.00 O ATOM 1570 CB SER A 100 20.217 20.314 -8.189 1.00 0.00 C ATOM 1571 OG SER A 100 20.894 19.598 -7.160 1.00 0.00 O ATOM 0 H SER A 100 18.344 20.184 -5.874 1.00 0.00 H new ATOM 0 HA SER A 100 18.295 21.127 -8.637 1.00 0.00 H new ATOM 0 HB2 SER A 100 20.383 19.818 -9.145 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.640 21.315 -8.272 1.00 0.00 H new ATOM 0 HG SER A 100 21.851 19.553 -7.368 1.00 0.00 H new ATOM 1577 N SER A 101 18.409 18.123 -7.250 1.00 0.00 N ATOM 1578 CA SER A 101 17.855 16.781 -7.317 1.00 0.00 C ATOM 1579 C SER A 101 18.178 16.018 -6.031 1.00 0.00 C ATOM 1580 O SER A 101 19.169 16.310 -5.364 1.00 0.00 O ATOM 1581 CB SER A 101 18.391 16.023 -8.533 1.00 0.00 C ATOM 1582 OG SER A 101 17.342 15.578 -9.389 1.00 0.00 O ATOM 0 H SER A 101 19.079 18.271 -6.496 1.00 0.00 H new ATOM 0 HA SER A 101 16.773 16.862 -7.422 1.00 0.00 H new ATOM 0 HB2 SER A 101 19.067 16.668 -9.094 1.00 0.00 H new ATOM 0 HB3 SER A 101 18.974 15.165 -8.198 1.00 0.00 H new ATOM 0 HG SER A 101 17.725 15.100 -10.154 1.00 0.00 H new ATOM 1588 N GLY A 102 17.322 15.054 -5.722 1.00 0.00 N ATOM 1589 CA GLY A 102 17.504 14.247 -4.528 1.00 0.00 C ATOM 1590 C GLY A 102 17.627 12.763 -4.883 1.00 0.00 C ATOM 1591 O GLY A 102 17.045 11.911 -4.213 1.00 0.00 O ATOM 0 H GLY A 102 16.501 14.814 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 102 18.398 14.573 -3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 102 16.661 14.395 -3.853 1.00 0.00 H new TER 1595 GLY A 102