USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 591 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 36 TYR OH : rot 70:sc= -1.13 USER MOD Set 1.2: A 49 HIS : no HD1:sc= -1.14 K(o=-2.3,f=-0.46) USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.0233) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 33:sc= 0.32 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-2) USER MOD Single : A 13 GLN : amide:sc= -2.9 K(o=-2.9,f=-9.6!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -3.92! C(o=-3.9!,f=-2.7!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 104:sc= 1.14 USER MOD Single : A 29 SER OG : rot 180:sc= 0.00322 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -4.64! C(o=-4.6!,f=-7.1!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -113:sc= -1.1 (180deg=-3.18!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.12) USER MOD Single : A 66 SER OG : rot 82:sc= 0.0358 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 27:sc= 0.984 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.348 0.567 15.457 1.00 0.00 N ATOM 2 CA GLY A 1 -18.251 1.568 15.996 1.00 0.00 C ATOM 3 C GLY A 1 -18.822 2.472 14.922 1.00 0.00 C ATOM 4 O GLY A 1 -20.012 2.788 14.935 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.051 -0.078 16.217 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.834 0.026 14.714 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.511 1.035 15.054 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.067 1.072 16.521 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.721 2.173 16.732 1.00 0.00 H new ATOM 8 N SER A 2 -17.972 2.891 13.990 1.00 0.00 N ATOM 9 CA SER A 2 -18.398 3.769 12.907 1.00 0.00 C ATOM 10 C SER A 2 -19.200 2.996 11.864 1.00 0.00 C ATOM 11 O SER A 2 -20.096 3.545 11.222 1.00 0.00 O ATOM 12 CB SER A 2 -17.184 4.427 12.248 1.00 0.00 C ATOM 13 OG SER A 2 -16.165 3.477 11.993 1.00 0.00 O ATOM 0 H SER A 2 -16.985 2.637 13.963 1.00 0.00 H new ATOM 0 HA SER A 2 -19.037 4.544 13.331 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.486 4.901 11.314 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.798 5.215 12.895 1.00 0.00 H new ATOM 0 HG SER A 2 -15.401 3.922 11.570 1.00 0.00 H new ATOM 19 N SER A 3 -18.871 1.719 11.701 1.00 0.00 N ATOM 20 CA SER A 3 -19.557 0.870 10.735 1.00 0.00 C ATOM 21 C SER A 3 -20.202 -0.328 11.425 1.00 0.00 C ATOM 22 O SER A 3 -20.233 -1.431 10.879 1.00 0.00 O ATOM 23 CB SER A 3 -18.579 0.389 9.661 1.00 0.00 C ATOM 24 OG SER A 3 -17.435 -0.210 10.245 1.00 0.00 O ATOM 0 H SER A 3 -18.133 1.249 12.226 1.00 0.00 H new ATOM 0 HA SER A 3 -20.342 1.461 10.263 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.075 -0.328 9.007 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.275 1.230 9.038 1.00 0.00 H new ATOM 0 HG SER A 3 -16.826 -0.511 9.538 1.00 0.00 H new ATOM 30 N GLY A 4 -20.716 -0.103 12.630 1.00 0.00 N ATOM 31 CA GLY A 4 -21.353 -1.173 13.376 1.00 0.00 C ATOM 32 C GLY A 4 -20.384 -2.278 13.748 1.00 0.00 C ATOM 33 O GLY A 4 -19.512 -2.640 12.957 1.00 0.00 O ATOM 0 H GLY A 4 -20.703 0.801 13.103 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.798 -0.764 14.283 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.166 -1.591 12.782 1.00 0.00 H new ATOM 37 N SER A 5 -20.534 -2.814 14.955 1.00 0.00 N ATOM 38 CA SER A 5 -19.662 -3.880 15.431 1.00 0.00 C ATOM 39 C SER A 5 -20.478 -5.041 15.990 1.00 0.00 C ATOM 40 O SER A 5 -21.289 -4.863 16.899 1.00 0.00 O ATOM 41 CB SER A 5 -18.710 -3.348 16.505 1.00 0.00 C ATOM 42 OG SER A 5 -19.428 -2.843 17.617 1.00 0.00 O ATOM 0 H SER A 5 -21.251 -2.527 15.621 1.00 0.00 H new ATOM 0 HA SER A 5 -19.078 -4.243 14.585 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.042 -4.145 16.831 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.085 -2.561 16.084 1.00 0.00 H new ATOM 0 HG SER A 5 -20.253 -3.358 17.735 1.00 0.00 H new ATOM 48 N SER A 6 -20.258 -6.231 15.440 1.00 0.00 N ATOM 49 CA SER A 6 -20.976 -7.422 15.880 1.00 0.00 C ATOM 50 C SER A 6 -20.049 -8.363 16.643 1.00 0.00 C ATOM 51 O SER A 6 -20.301 -8.697 17.800 1.00 0.00 O ATOM 52 CB SER A 6 -21.584 -8.149 14.679 1.00 0.00 C ATOM 53 OG SER A 6 -22.537 -9.112 15.095 1.00 0.00 O ATOM 0 H SER A 6 -19.588 -6.396 14.689 1.00 0.00 H new ATOM 0 HA SER A 6 -21.777 -7.108 16.549 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.058 -7.427 14.015 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.795 -8.637 14.108 1.00 0.00 H new ATOM 0 HG SER A 6 -22.912 -9.562 14.309 1.00 0.00 H new ATOM 59 N GLY A 7 -18.974 -8.788 15.985 1.00 0.00 N ATOM 60 CA GLY A 7 -18.026 -9.687 16.616 1.00 0.00 C ATOM 61 C GLY A 7 -16.607 -9.466 16.132 1.00 0.00 C ATOM 62 O GLY A 7 -16.327 -9.575 14.938 1.00 0.00 O ATOM 0 H GLY A 7 -18.743 -8.526 15.027 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.064 -9.549 17.697 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.319 -10.718 16.415 1.00 0.00 H new ATOM 66 N ARG A 8 -15.708 -9.152 17.059 1.00 0.00 N ATOM 67 CA ARG A 8 -14.311 -8.912 16.720 1.00 0.00 C ATOM 68 C ARG A 8 -13.764 -10.035 15.844 1.00 0.00 C ATOM 69 O ARG A 8 -13.827 -11.209 16.211 1.00 0.00 O ATOM 70 CB ARG A 8 -13.470 -8.785 17.991 1.00 0.00 C ATOM 71 CG ARG A 8 -13.474 -10.038 18.852 1.00 0.00 C ATOM 72 CD ARG A 8 -12.584 -9.877 20.074 1.00 0.00 C ATOM 73 NE ARG A 8 -12.685 -11.019 20.979 1.00 0.00 N ATOM 74 CZ ARG A 8 -13.763 -11.286 21.708 1.00 0.00 C ATOM 75 NH1 ARG A 8 -14.826 -10.497 21.638 1.00 0.00 N ATOM 76 NH2 ARG A 8 -13.779 -12.344 22.508 1.00 0.00 N ATOM 0 H ARG A 8 -15.923 -9.058 18.052 1.00 0.00 H new ATOM 0 HA ARG A 8 -14.254 -7.978 16.161 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.443 -8.548 17.715 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.843 -7.948 18.581 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -14.493 -10.259 19.169 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -13.132 -10.888 18.261 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.549 -9.758 19.755 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.860 -8.967 20.606 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.884 -11.646 21.055 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -14.817 -9.683 21.023 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.653 -10.704 22.199 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.963 -12.953 22.564 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.607 -12.548 23.067 1.00 0.00 H new ATOM 90 N ARG A 9 -13.226 -9.667 14.686 1.00 0.00 N ATOM 91 CA ARG A 9 -12.669 -10.644 13.757 1.00 0.00 C ATOM 92 C ARG A 9 -11.379 -10.123 13.131 1.00 0.00 C ATOM 93 O ARG A 9 -10.980 -8.983 13.365 1.00 0.00 O ATOM 94 CB ARG A 9 -13.684 -10.974 12.662 1.00 0.00 C ATOM 95 CG ARG A 9 -14.824 -11.862 13.134 1.00 0.00 C ATOM 96 CD ARG A 9 -14.331 -13.254 13.498 1.00 0.00 C ATOM 97 NE ARG A 9 -15.435 -14.185 13.715 1.00 0.00 N ATOM 98 CZ ARG A 9 -15.267 -15.449 14.089 1.00 0.00 C ATOM 99 NH1 ARG A 9 -14.047 -15.929 14.285 1.00 0.00 N ATOM 100 NH2 ARG A 9 -16.321 -16.235 14.266 1.00 0.00 N ATOM 0 H ARG A 9 -13.164 -8.700 14.368 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.441 -11.552 14.316 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.097 -10.045 12.270 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.169 -11.467 11.838 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.306 -11.408 13.999 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.578 -11.935 12.351 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.690 -13.631 12.702 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.721 -13.198 14.399 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.387 -13.847 13.572 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.234 -15.328 14.149 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.921 -16.900 14.572 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.261 -15.869 14.115 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.191 -17.205 14.553 1.00 0.00 H new ATOM 114 N GLU A 10 -10.732 -10.968 12.334 1.00 0.00 N ATOM 115 CA GLU A 10 -9.486 -10.593 11.675 1.00 0.00 C ATOM 116 C GLU A 10 -9.500 -9.118 11.284 1.00 0.00 C ATOM 117 O GLU A 10 -10.548 -8.560 10.961 1.00 0.00 O ATOM 118 CB GLU A 10 -9.259 -11.459 10.434 1.00 0.00 C ATOM 119 CG GLU A 10 -10.109 -11.049 9.243 1.00 0.00 C ATOM 120 CD GLU A 10 -11.587 -11.307 9.464 1.00 0.00 C ATOM 121 OE1 GLU A 10 -11.978 -12.490 9.545 1.00 0.00 O ATOM 122 OE2 GLU A 10 -12.352 -10.324 9.556 1.00 0.00 O ATOM 0 H GLU A 10 -11.049 -11.915 12.129 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.669 -10.757 12.378 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.207 -11.409 10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.473 -12.498 10.682 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.956 -9.989 9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.777 -11.594 8.360 1.00 0.00 H new ATOM 129 N ASN A 11 -8.328 -8.492 11.318 1.00 0.00 N ATOM 130 CA ASN A 11 -8.204 -7.082 10.968 1.00 0.00 C ATOM 131 C ASN A 11 -7.547 -6.915 9.601 1.00 0.00 C ATOM 132 O ASN A 11 -6.820 -7.795 9.139 1.00 0.00 O ATOM 133 CB ASN A 11 -7.390 -6.341 12.031 1.00 0.00 C ATOM 134 CG ASN A 11 -7.801 -6.718 13.441 1.00 0.00 C ATOM 135 OD1 ASN A 11 -7.049 -7.370 14.166 1.00 0.00 O ATOM 136 ND2 ASN A 11 -9.002 -6.310 13.837 1.00 0.00 N ATOM 0 H ASN A 11 -7.451 -8.939 11.584 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.206 -6.656 10.924 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.331 -6.561 11.893 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.512 -5.266 11.895 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.333 -6.535 14.775 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.592 -5.772 13.203 1.00 0.00 H new ATOM 143 N HIS A 12 -7.808 -5.781 8.960 1.00 0.00 N ATOM 144 CA HIS A 12 -7.241 -5.498 7.646 1.00 0.00 C ATOM 145 C HIS A 12 -6.743 -4.058 7.568 1.00 0.00 C ATOM 146 O HIS A 12 -7.408 -3.135 8.038 1.00 0.00 O ATOM 147 CB HIS A 12 -8.280 -5.750 6.554 1.00 0.00 C ATOM 148 CG HIS A 12 -8.994 -7.059 6.697 1.00 0.00 C ATOM 149 ND1 HIS A 12 -10.285 -7.164 7.172 1.00 0.00 N ATOM 150 CD2 HIS A 12 -8.592 -8.322 6.424 1.00 0.00 C ATOM 151 CE1 HIS A 12 -10.644 -8.435 7.187 1.00 0.00 C ATOM 152 NE2 HIS A 12 -9.635 -9.159 6.736 1.00 0.00 N ATOM 0 H HIS A 12 -8.408 -5.043 9.328 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.394 -6.166 7.492 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -9.012 -4.943 6.568 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.788 -5.718 5.582 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.629 -8.617 6.033 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.600 -8.818 7.513 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -9.631 -10.174 6.636 1.00 0.00 H new ATOM 161 N GLN A 13 -5.570 -3.874 6.971 1.00 0.00 N ATOM 162 CA GLN A 13 -4.983 -2.546 6.833 1.00 0.00 C ATOM 163 C GLN A 13 -5.335 -1.933 5.482 1.00 0.00 C ATOM 164 O GLN A 13 -5.257 -2.597 4.448 1.00 0.00 O ATOM 165 CB GLN A 13 -3.464 -2.617 6.995 1.00 0.00 C ATOM 166 CG GLN A 13 -2.734 -1.414 6.421 1.00 0.00 C ATOM 167 CD GLN A 13 -3.025 -0.136 7.183 1.00 0.00 C ATOM 168 OE1 GLN A 13 -3.651 0.785 6.658 1.00 0.00 O ATOM 169 NE2 GLN A 13 -2.573 -0.074 8.430 1.00 0.00 N ATOM 0 H GLN A 13 -5.007 -4.627 6.575 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.395 -1.911 7.617 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.224 -2.706 8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.097 -3.521 6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.661 -1.604 6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.021 -1.284 5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.059 -0.861 8.826 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.740 0.760 8.992 1.00 0.00 H new ATOM 178 N THR A 14 -5.722 -0.662 5.497 1.00 0.00 N ATOM 179 CA THR A 14 -6.088 0.041 4.273 1.00 0.00 C ATOM 180 C THR A 14 -4.933 0.896 3.765 1.00 0.00 C ATOM 181 O THR A 14 -4.340 1.668 4.519 1.00 0.00 O ATOM 182 CB THR A 14 -7.321 0.939 4.488 1.00 0.00 C ATOM 183 OG1 THR A 14 -7.722 1.525 3.244 1.00 0.00 O ATOM 184 CG2 THR A 14 -7.022 2.036 5.498 1.00 0.00 C ATOM 0 H THR A 14 -5.790 -0.097 6.344 1.00 0.00 H new ATOM 0 HA THR A 14 -6.328 -0.720 3.530 1.00 0.00 H new ATOM 0 HB THR A 14 -8.131 0.321 4.876 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.507 2.093 3.388 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.907 2.657 5.633 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.745 1.587 6.452 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.199 2.651 5.134 1.00 0.00 H new ATOM 192 N ILE A 15 -4.618 0.753 2.481 1.00 0.00 N ATOM 193 CA ILE A 15 -3.535 1.515 1.872 1.00 0.00 C ATOM 194 C ILE A 15 -3.470 2.929 2.439 1.00 0.00 C ATOM 195 O ILE A 15 -2.453 3.337 2.999 1.00 0.00 O ATOM 196 CB ILE A 15 -3.693 1.594 0.342 1.00 0.00 C ATOM 197 CG1 ILE A 15 -3.014 0.397 -0.326 1.00 0.00 C ATOM 198 CG2 ILE A 15 -3.115 2.900 -0.183 1.00 0.00 C ATOM 199 CD1 ILE A 15 -3.812 -0.884 -0.225 1.00 0.00 C ATOM 0 H ILE A 15 -5.097 0.117 1.844 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.609 0.990 2.107 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.755 1.566 0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.843 0.627 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.036 0.243 0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.234 2.941 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.641 3.739 0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.056 2.956 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.270 -1.690 -0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.961 -1.138 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.780 -0.748 -0.707 1.00 0.00 H new ATOM 211 N GLN A 16 -4.563 3.670 2.292 1.00 0.00 N ATOM 212 CA GLN A 16 -4.630 5.039 2.791 1.00 0.00 C ATOM 213 C GLN A 16 -3.833 5.187 4.083 1.00 0.00 C ATOM 214 O GLN A 16 -2.855 5.931 4.138 1.00 0.00 O ATOM 215 CB GLN A 16 -6.085 5.448 3.025 1.00 0.00 C ATOM 216 CG GLN A 16 -6.775 5.981 1.780 1.00 0.00 C ATOM 217 CD GLN A 16 -8.255 5.655 1.748 1.00 0.00 C ATOM 218 OE1 GLN A 16 -9.071 6.356 2.348 1.00 0.00 O ATOM 219 NE2 GLN A 16 -8.611 4.585 1.046 1.00 0.00 N ATOM 0 H GLN A 16 -5.414 3.346 1.832 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.192 5.695 2.039 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.640 4.587 3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.119 6.210 3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.644 7.062 1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.295 5.562 0.896 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.902 4.032 0.564 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.593 4.316 0.989 1.00 0.00 H new ATOM 228 N GLU A 17 -4.260 4.473 5.120 1.00 0.00 N ATOM 229 CA GLU A 17 -3.586 4.527 6.413 1.00 0.00 C ATOM 230 C GLU A 17 -2.182 3.936 6.319 1.00 0.00 C ATOM 231 O GLU A 17 -1.217 4.517 6.815 1.00 0.00 O ATOM 232 CB GLU A 17 -4.399 3.775 7.468 1.00 0.00 C ATOM 233 CG GLU A 17 -5.637 4.524 7.932 1.00 0.00 C ATOM 234 CD GLU A 17 -6.496 3.705 8.874 1.00 0.00 C ATOM 235 OE1 GLU A 17 -5.931 2.912 9.656 1.00 0.00 O ATOM 236 OE2 GLU A 17 -7.735 3.856 8.829 1.00 0.00 O ATOM 0 H GLU A 17 -5.068 3.851 5.091 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.502 5.573 6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.700 2.809 7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.762 3.574 8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.334 5.445 8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.230 4.812 7.064 1.00 0.00 H new ATOM 243 N PHE A 18 -2.077 2.775 5.680 1.00 0.00 N ATOM 244 CA PHE A 18 -0.792 2.104 5.522 1.00 0.00 C ATOM 245 C PHE A 18 0.254 3.057 4.952 1.00 0.00 C ATOM 246 O PHE A 18 1.454 2.883 5.170 1.00 0.00 O ATOM 247 CB PHE A 18 -0.939 0.885 4.609 1.00 0.00 C ATOM 248 CG PHE A 18 0.314 0.548 3.852 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.406 -0.003 4.504 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.401 0.784 2.490 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.560 -0.314 3.810 1.00 0.00 C ATOM 252 CE2 PHE A 18 1.552 0.475 1.791 1.00 0.00 C ATOM 253 CZ PHE A 18 2.634 -0.074 2.452 1.00 0.00 C ATOM 0 H PHE A 18 -2.866 2.280 5.264 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.459 1.775 6.506 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.233 0.025 5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.745 1.068 3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.355 -0.191 5.566 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.441 1.215 1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.403 -0.744 4.329 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.606 0.662 0.729 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.535 -0.315 1.908 1.00 0.00 H new ATOM 263 N LEU A 19 -0.209 4.065 4.221 1.00 0.00 N ATOM 264 CA LEU A 19 0.685 5.047 3.618 1.00 0.00 C ATOM 265 C LEU A 19 0.953 6.202 4.579 1.00 0.00 C ATOM 266 O LEU A 19 2.070 6.710 4.656 1.00 0.00 O ATOM 267 CB LEU A 19 0.086 5.580 2.316 1.00 0.00 C ATOM 268 CG LEU A 19 -0.138 4.549 1.209 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.950 5.153 0.074 1.00 0.00 C ATOM 270 CD2 LEU A 19 1.193 4.022 0.694 1.00 0.00 C ATOM 0 H LEU A 19 -1.199 4.224 4.032 1.00 0.00 H new ATOM 0 HA LEU A 19 1.632 4.554 3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.870 6.051 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.742 6.361 1.931 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.700 3.713 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.099 4.405 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.918 5.480 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.415 6.007 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.014 3.289 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.781 4.848 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.738 3.550 1.511 1.00 0.00 H new ATOM 282 N GLU A 20 -0.081 6.609 5.309 1.00 0.00 N ATOM 283 CA GLU A 20 0.044 7.702 6.265 1.00 0.00 C ATOM 284 C GLU A 20 1.218 7.467 7.212 1.00 0.00 C ATOM 285 O GLU A 20 1.836 8.413 7.699 1.00 0.00 O ATOM 286 CB GLU A 20 -1.249 7.857 7.068 1.00 0.00 C ATOM 287 CG GLU A 20 -2.443 8.272 6.225 1.00 0.00 C ATOM 288 CD GLU A 20 -3.489 9.025 7.024 1.00 0.00 C ATOM 289 OE1 GLU A 20 -3.111 9.949 7.775 1.00 0.00 O ATOM 290 OE2 GLU A 20 -4.686 8.691 6.898 1.00 0.00 O ATOM 0 H GLU A 20 -1.013 6.198 5.256 1.00 0.00 H new ATOM 0 HA GLU A 20 0.229 8.619 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.475 6.912 7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.093 8.598 7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.101 8.898 5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.897 7.385 5.784 1.00 0.00 H new ATOM 297 N ARG A 21 1.518 6.197 7.468 1.00 0.00 N ATOM 298 CA ARG A 21 2.615 5.837 8.357 1.00 0.00 C ATOM 299 C ARG A 21 3.962 6.039 7.668 1.00 0.00 C ATOM 300 O ARG A 21 4.945 6.417 8.305 1.00 0.00 O ATOM 301 CB ARG A 21 2.476 4.382 8.810 1.00 0.00 C ATOM 302 CG ARG A 21 3.172 3.389 7.894 1.00 0.00 C ATOM 303 CD ARG A 21 3.124 1.979 8.462 1.00 0.00 C ATOM 304 NE ARG A 21 4.042 1.810 9.585 1.00 0.00 N ATOM 305 CZ ARG A 21 4.340 0.631 10.120 1.00 0.00 C ATOM 306 NH1 ARG A 21 3.794 -0.476 9.637 1.00 0.00 N ATOM 307 NH2 ARG A 21 5.184 0.559 11.141 1.00 0.00 N ATOM 0 H ARG A 21 1.017 5.402 7.072 1.00 0.00 H new ATOM 0 HA ARG A 21 2.571 6.489 9.230 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.884 4.283 9.816 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.418 4.128 8.869 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.698 3.403 6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.210 3.690 7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.108 1.753 8.787 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.374 1.264 7.678 1.00 0.00 H new ATOM 0 HE ARG A 21 4.478 2.643 9.980 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.144 -0.424 8.853 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.024 -1.380 10.049 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.605 1.409 11.516 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.412 -0.347 11.551 1.00 0.00 H new ATOM 321 N ILE A 22 3.998 5.783 6.365 1.00 0.00 N ATOM 322 CA ILE A 22 5.223 5.937 5.590 1.00 0.00 C ATOM 323 C ILE A 22 5.278 7.303 4.915 1.00 0.00 C ATOM 324 O ILE A 22 6.189 7.587 4.136 1.00 0.00 O ATOM 325 CB ILE A 22 5.352 4.841 4.516 1.00 0.00 C ATOM 326 CG1 ILE A 22 4.004 4.605 3.832 1.00 0.00 C ATOM 327 CG2 ILE A 22 5.871 3.551 5.135 1.00 0.00 C ATOM 328 CD1 ILE A 22 4.085 3.674 2.643 1.00 0.00 C ATOM 0 H ILE A 22 3.193 5.468 5.824 1.00 0.00 H new ATOM 0 HA ILE A 22 6.053 5.847 6.291 1.00 0.00 H new ATOM 0 HB ILE A 22 6.067 5.173 3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.304 4.193 4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.598 5.563 3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.957 2.786 4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.850 3.729 5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.178 3.213 5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.093 3.553 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.760 4.094 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.461 2.703 2.966 1.00 0.00 H new ATOM 340 N HIS A 23 4.298 8.148 5.220 1.00 0.00 N ATOM 341 CA HIS A 23 4.236 9.487 4.644 1.00 0.00 C ATOM 342 C HIS A 23 4.250 9.424 3.120 1.00 0.00 C ATOM 343 O HIS A 23 4.886 10.247 2.460 1.00 0.00 O ATOM 344 CB HIS A 23 5.407 10.334 5.142 1.00 0.00 C ATOM 345 CG HIS A 23 5.141 11.014 6.450 1.00 0.00 C ATOM 346 ND1 HIS A 23 5.452 12.336 6.687 1.00 0.00 N ATOM 347 CD2 HIS A 23 4.589 10.547 7.594 1.00 0.00 C ATOM 348 CE1 HIS A 23 5.103 12.653 7.922 1.00 0.00 C ATOM 349 NE2 HIS A 23 4.577 11.585 8.493 1.00 0.00 N ATOM 0 H HIS A 23 3.536 7.929 5.862 1.00 0.00 H new ATOM 0 HA HIS A 23 3.302 9.950 4.962 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.287 9.698 5.245 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.644 11.088 4.392 1.00 0.00 H new ATOM 0 HD2 HIS A 23 4.226 9.545 7.768 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.227 13.621 8.385 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.220 11.538 9.447 1.00 0.00 H new ATOM 358 N LEU A 24 3.547 8.442 2.567 1.00 0.00 N ATOM 359 CA LEU A 24 3.479 8.271 1.119 1.00 0.00 C ATOM 360 C LEU A 24 2.031 8.250 0.641 1.00 0.00 C ATOM 361 O LEU A 24 1.736 7.767 -0.452 1.00 0.00 O ATOM 362 CB LEU A 24 4.184 6.978 0.705 1.00 0.00 C ATOM 363 CG LEU A 24 5.710 7.039 0.635 1.00 0.00 C ATOM 364 CD1 LEU A 24 6.287 5.657 0.366 1.00 0.00 C ATOM 365 CD2 LEU A 24 6.156 8.023 -0.437 1.00 0.00 C ATOM 0 H LEU A 24 3.016 7.752 3.099 1.00 0.00 H new ATOM 0 HA LEU A 24 3.984 9.118 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.904 6.194 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.807 6.679 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 24 6.085 7.387 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.374 5.719 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.997 4.979 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.904 5.281 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.245 8.053 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.770 7.705 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.773 9.016 -0.202 1.00 0.00 H new ATOM 377 N GLN A 25 1.133 8.778 1.466 1.00 0.00 N ATOM 378 CA GLN A 25 -0.285 8.821 1.126 1.00 0.00 C ATOM 379 C GLN A 25 -0.509 9.580 -0.178 1.00 0.00 C ATOM 380 O GLN A 25 -1.586 9.512 -0.769 1.00 0.00 O ATOM 381 CB GLN A 25 -1.082 9.476 2.255 1.00 0.00 C ATOM 382 CG GLN A 25 -0.681 10.916 2.527 1.00 0.00 C ATOM 383 CD GLN A 25 0.638 11.024 3.267 1.00 0.00 C ATOM 384 OE1 GLN A 25 1.648 11.444 2.701 1.00 0.00 O ATOM 385 NE2 GLN A 25 0.636 10.646 4.540 1.00 0.00 N ATOM 0 H GLN A 25 1.362 9.182 2.374 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.632 7.796 0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.143 9.444 2.006 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.951 8.893 3.167 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.608 11.454 1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.462 11.403 3.111 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.224 10.304 4.969 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.494 10.698 5.089 1.00 0.00 H new ATOM 394 N GLU A 26 0.516 10.304 -0.619 1.00 0.00 N ATOM 395 CA GLU A 26 0.429 11.077 -1.852 1.00 0.00 C ATOM 396 C GLU A 26 0.261 10.159 -3.060 1.00 0.00 C ATOM 397 O GLU A 26 -0.127 10.601 -4.141 1.00 0.00 O ATOM 398 CB GLU A 26 1.678 11.943 -2.026 1.00 0.00 C ATOM 399 CG GLU A 26 2.931 11.147 -2.348 1.00 0.00 C ATOM 400 CD GLU A 26 4.172 12.016 -2.419 1.00 0.00 C ATOM 401 OE1 GLU A 26 4.711 12.367 -1.348 1.00 0.00 O ATOM 402 OE2 GLU A 26 4.604 12.344 -3.543 1.00 0.00 O ATOM 0 H GLU A 26 1.415 10.371 -0.141 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.446 11.723 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.501 12.664 -2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.845 12.513 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.073 10.378 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.796 10.634 -3.300 1.00 0.00 H new ATOM 409 N TYR A 27 0.557 8.878 -2.867 1.00 0.00 N ATOM 410 CA TYR A 27 0.442 7.897 -3.939 1.00 0.00 C ATOM 411 C TYR A 27 -0.863 7.115 -3.825 1.00 0.00 C ATOM 412 O TYR A 27 -1.146 6.234 -4.637 1.00 0.00 O ATOM 413 CB TYR A 27 1.631 6.935 -3.908 1.00 0.00 C ATOM 414 CG TYR A 27 2.928 7.560 -4.371 1.00 0.00 C ATOM 415 CD1 TYR A 27 3.775 8.196 -3.472 1.00 0.00 C ATOM 416 CD2 TYR A 27 3.305 7.515 -5.708 1.00 0.00 C ATOM 417 CE1 TYR A 27 4.960 8.769 -3.891 1.00 0.00 C ATOM 418 CE2 TYR A 27 4.489 8.084 -6.135 1.00 0.00 C ATOM 419 CZ TYR A 27 5.313 8.710 -5.223 1.00 0.00 C ATOM 420 OH TYR A 27 6.493 9.279 -5.645 1.00 0.00 O ATOM 0 H TYR A 27 0.878 8.495 -1.978 1.00 0.00 H new ATOM 0 HA TYR A 27 0.441 8.433 -4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.760 6.562 -2.892 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.407 6.074 -4.538 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.502 8.243 -2.428 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.661 7.027 -6.425 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.607 9.261 -3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.768 8.039 -7.177 1.00 0.00 H new ATOM 0 HH TYR A 27 6.592 9.148 -6.611 1.00 0.00 H new ATOM 430 N THR A 28 -1.655 7.443 -2.809 1.00 0.00 N ATOM 431 CA THR A 28 -2.930 6.773 -2.586 1.00 0.00 C ATOM 432 C THR A 28 -3.735 6.679 -3.877 1.00 0.00 C ATOM 433 O THR A 28 -3.838 5.611 -4.480 1.00 0.00 O ATOM 434 CB THR A 28 -3.770 7.503 -1.522 1.00 0.00 C ATOM 435 OG1 THR A 28 -3.054 7.556 -0.284 1.00 0.00 O ATOM 436 CG2 THR A 28 -5.105 6.803 -1.312 1.00 0.00 C ATOM 0 H THR A 28 -1.436 8.169 -2.127 1.00 0.00 H new ATOM 0 HA THR A 28 -2.701 5.768 -2.230 1.00 0.00 H new ATOM 0 HB THR A 28 -3.961 8.517 -1.875 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.686 8.455 -0.157 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.681 7.337 -0.556 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.661 6.790 -2.250 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.931 5.780 -0.980 1.00 0.00 H new ATOM 444 N SER A 29 -4.304 7.805 -4.297 1.00 0.00 N ATOM 445 CA SER A 29 -5.103 7.849 -5.516 1.00 0.00 C ATOM 446 C SER A 29 -4.487 6.973 -6.602 1.00 0.00 C ATOM 447 O SER A 29 -5.181 6.198 -7.261 1.00 0.00 O ATOM 448 CB SER A 29 -5.229 9.289 -6.017 1.00 0.00 C ATOM 449 OG SER A 29 -4.089 10.053 -5.664 1.00 0.00 O ATOM 0 H SER A 29 -4.226 8.698 -3.811 1.00 0.00 H new ATOM 0 HA SER A 29 -6.096 7.464 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.351 9.291 -7.100 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.123 9.748 -5.595 1.00 0.00 H new ATOM 0 HG SER A 29 -4.193 10.969 -5.997 1.00 0.00 H new ATOM 455 N THR A 30 -3.176 7.101 -6.784 1.00 0.00 N ATOM 456 CA THR A 30 -2.464 6.323 -7.790 1.00 0.00 C ATOM 457 C THR A 30 -2.635 4.827 -7.551 1.00 0.00 C ATOM 458 O THR A 30 -2.780 4.050 -8.495 1.00 0.00 O ATOM 459 CB THR A 30 -0.961 6.662 -7.802 1.00 0.00 C ATOM 460 OG1 THR A 30 -0.764 8.000 -8.269 1.00 0.00 O ATOM 461 CG2 THR A 30 -0.195 5.691 -8.688 1.00 0.00 C ATOM 0 H THR A 30 -2.586 7.737 -6.247 1.00 0.00 H new ATOM 0 HA THR A 30 -2.895 6.585 -8.756 1.00 0.00 H new ATOM 0 HB THR A 30 -0.583 6.575 -6.783 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.194 8.208 -8.272 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.864 5.950 -8.681 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.323 4.676 -8.311 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.576 5.750 -9.707 1.00 0.00 H new ATOM 469 N LEU A 31 -2.616 4.430 -6.283 1.00 0.00 N ATOM 470 CA LEU A 31 -2.770 3.026 -5.920 1.00 0.00 C ATOM 471 C LEU A 31 -4.225 2.586 -6.047 1.00 0.00 C ATOM 472 O LEU A 31 -4.522 1.548 -6.639 1.00 0.00 O ATOM 473 CB LEU A 31 -2.278 2.792 -4.490 1.00 0.00 C ATOM 474 CG LEU A 31 -0.776 2.963 -4.261 1.00 0.00 C ATOM 475 CD1 LEU A 31 -0.504 3.436 -2.841 1.00 0.00 C ATOM 476 CD2 LEU A 31 -0.042 1.660 -4.542 1.00 0.00 C ATOM 0 H LEU A 31 -2.496 5.060 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.169 2.431 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.807 3.478 -3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.558 1.782 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.406 3.721 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.570 3.552 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.998 4.393 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.888 2.702 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.026 1.800 -4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.415 0.882 -3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.210 1.363 -5.577 1.00 0.00 H new ATOM 488 N LEU A 32 -5.130 3.384 -5.490 1.00 0.00 N ATOM 489 CA LEU A 32 -6.555 3.080 -5.543 1.00 0.00 C ATOM 490 C LEU A 32 -7.051 3.042 -6.985 1.00 0.00 C ATOM 491 O LEU A 32 -7.573 2.026 -7.447 1.00 0.00 O ATOM 492 CB LEU A 32 -7.349 4.117 -4.746 1.00 0.00 C ATOM 493 CG LEU A 32 -6.933 4.303 -3.286 1.00 0.00 C ATOM 494 CD1 LEU A 32 -7.693 5.461 -2.659 1.00 0.00 C ATOM 495 CD2 LEU A 32 -7.163 3.022 -2.499 1.00 0.00 C ATOM 0 H LEU A 32 -4.901 4.247 -4.996 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.707 2.096 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.264 5.078 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.402 3.836 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.869 4.536 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.384 5.579 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.477 6.378 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.763 5.258 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.861 3.173 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.220 2.758 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.573 2.216 -2.935 1.00 0.00 H new ATOM 507 N LEU A 33 -6.883 4.154 -7.692 1.00 0.00 N ATOM 508 CA LEU A 33 -7.311 4.248 -9.084 1.00 0.00 C ATOM 509 C LEU A 33 -6.845 3.033 -9.880 1.00 0.00 C ATOM 510 O LEU A 33 -7.570 2.524 -10.734 1.00 0.00 O ATOM 511 CB LEU A 33 -6.766 5.528 -9.720 1.00 0.00 C ATOM 512 CG LEU A 33 -7.579 6.799 -9.472 1.00 0.00 C ATOM 513 CD1 LEU A 33 -6.690 8.029 -9.574 1.00 0.00 C ATOM 514 CD2 LEU A 33 -8.736 6.892 -10.456 1.00 0.00 C ATOM 0 H LEU A 33 -6.454 5.003 -7.325 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.400 4.276 -9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.753 5.691 -9.351 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.692 5.372 -10.796 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.989 6.755 -8.463 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.285 8.924 -9.395 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.896 7.967 -8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.251 8.079 -10.570 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.304 7.803 -10.265 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.347 6.914 -11.474 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.387 6.026 -10.335 1.00 0.00 H new ATOM 526 N ASN A 34 -5.633 2.572 -9.592 1.00 0.00 N ATOM 527 CA ASN A 34 -5.071 1.415 -10.280 1.00 0.00 C ATOM 528 C ASN A 34 -5.772 0.131 -9.846 1.00 0.00 C ATOM 529 O ASN A 34 -5.897 -0.814 -10.624 1.00 0.00 O ATOM 530 CB ASN A 34 -3.570 1.309 -10.001 1.00 0.00 C ATOM 531 CG ASN A 34 -2.740 2.089 -11.003 1.00 0.00 C ATOM 532 OD1 ASN A 34 -2.070 1.508 -11.856 1.00 0.00 O ATOM 533 ND2 ASN A 34 -2.781 3.412 -10.902 1.00 0.00 N ATOM 0 H ASN A 34 -5.020 2.982 -8.887 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.226 1.549 -11.351 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.363 1.678 -8.996 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.272 0.261 -10.024 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.243 3.990 -11.548 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.351 3.851 -10.179 1.00 0.00 H new ATOM 540 N GLY A 35 -6.230 0.105 -8.598 1.00 0.00 N ATOM 541 CA GLY A 35 -6.913 -1.066 -8.082 1.00 0.00 C ATOM 542 C GLY A 35 -6.547 -1.364 -6.641 1.00 0.00 C ATOM 543 O GLY A 35 -7.382 -1.825 -5.864 1.00 0.00 O ATOM 0 H GLY A 35 -6.140 0.875 -7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.990 -0.917 -8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.667 -1.928 -8.702 1.00 0.00 H new ATOM 547 N TYR A 36 -5.295 -1.101 -6.285 1.00 0.00 N ATOM 548 CA TYR A 36 -4.818 -1.348 -4.929 1.00 0.00 C ATOM 549 C TYR A 36 -5.662 -0.590 -3.909 1.00 0.00 C ATOM 550 O TYR A 36 -5.423 0.588 -3.643 1.00 0.00 O ATOM 551 CB TYR A 36 -3.350 -0.938 -4.799 1.00 0.00 C ATOM 552 CG TYR A 36 -2.422 -1.717 -5.702 1.00 0.00 C ATOM 553 CD1 TYR A 36 -1.883 -2.932 -5.296 1.00 0.00 C ATOM 554 CD2 TYR A 36 -2.083 -1.239 -6.962 1.00 0.00 C ATOM 555 CE1 TYR A 36 -1.034 -3.647 -6.118 1.00 0.00 C ATOM 556 CE2 TYR A 36 -1.235 -1.948 -7.791 1.00 0.00 C ATOM 557 CZ TYR A 36 -0.713 -3.152 -7.364 1.00 0.00 C ATOM 558 OH TYR A 36 0.132 -3.862 -8.186 1.00 0.00 O ATOM 0 H TYR A 36 -4.592 -0.717 -6.916 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.909 -2.415 -4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.257 0.124 -5.025 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.034 -1.072 -3.764 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.132 -3.324 -4.321 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.489 -0.297 -7.299 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.624 -4.589 -5.786 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.982 -1.562 -8.768 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.322 -4.672 -8.500 1.00 0.00 H new ATOM 568 N GLU A 37 -6.649 -1.275 -3.341 1.00 0.00 N ATOM 569 CA GLU A 37 -7.529 -0.667 -2.350 1.00 0.00 C ATOM 570 C GLU A 37 -7.051 -0.977 -0.934 1.00 0.00 C ATOM 571 O GLU A 37 -6.991 -0.094 -0.078 1.00 0.00 O ATOM 572 CB GLU A 37 -8.964 -1.163 -2.536 1.00 0.00 C ATOM 573 CG GLU A 37 -9.722 -0.436 -3.634 1.00 0.00 C ATOM 574 CD GLU A 37 -11.208 -0.739 -3.616 1.00 0.00 C ATOM 575 OE1 GLU A 37 -11.570 -1.933 -3.559 1.00 0.00 O ATOM 576 OE2 GLU A 37 -12.009 0.218 -3.659 1.00 0.00 O ATOM 0 H GLU A 37 -6.859 -2.251 -3.550 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.504 0.413 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.944 -2.229 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.504 -1.048 -1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.573 0.638 -3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.309 -0.717 -4.603 1.00 0.00 H new ATOM 583 N THR A 38 -6.713 -2.240 -0.694 1.00 0.00 N ATOM 584 CA THR A 38 -6.242 -2.670 0.617 1.00 0.00 C ATOM 585 C THR A 38 -4.963 -3.491 0.500 1.00 0.00 C ATOM 586 O THR A 38 -4.570 -3.894 -0.596 1.00 0.00 O ATOM 587 CB THR A 38 -7.309 -3.503 1.352 1.00 0.00 C ATOM 588 OG1 THR A 38 -7.602 -4.690 0.607 1.00 0.00 O ATOM 589 CG2 THR A 38 -8.583 -2.696 1.550 1.00 0.00 C ATOM 0 H THR A 38 -6.757 -2.984 -1.391 1.00 0.00 H new ATOM 0 HA THR A 38 -6.038 -1.766 1.192 1.00 0.00 H new ATOM 0 HB THR A 38 -6.915 -3.776 2.331 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.280 -5.215 1.082 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.322 -3.305 2.071 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.363 -1.807 2.142 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.979 -2.397 0.579 1.00 0.00 H new ATOM 597 N LEU A 39 -4.319 -3.738 1.635 1.00 0.00 N ATOM 598 CA LEU A 39 -3.083 -4.514 1.660 1.00 0.00 C ATOM 599 C LEU A 39 -3.229 -5.797 0.848 1.00 0.00 C ATOM 600 O LEU A 39 -2.332 -6.171 0.093 1.00 0.00 O ATOM 601 CB LEU A 39 -2.699 -4.850 3.102 1.00 0.00 C ATOM 602 CG LEU A 39 -2.213 -3.679 3.957 1.00 0.00 C ATOM 603 CD1 LEU A 39 -1.294 -4.172 5.064 1.00 0.00 C ATOM 604 CD2 LEU A 39 -1.505 -2.645 3.094 1.00 0.00 C ATOM 0 H LEU A 39 -4.631 -3.413 2.550 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.294 -3.910 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.564 -5.298 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.916 -5.608 3.081 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.080 -3.205 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.958 -3.325 5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.834 -4.874 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.430 -4.671 4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.166 -1.819 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.647 -3.106 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.194 -2.268 2.338 1.00 0.00 H new ATOM 616 N ASP A 40 -4.366 -6.465 1.008 1.00 0.00 N ATOM 617 CA ASP A 40 -4.632 -7.705 0.287 1.00 0.00 C ATOM 618 C ASP A 40 -4.142 -7.611 -1.155 1.00 0.00 C ATOM 619 O ASP A 40 -3.701 -8.602 -1.737 1.00 0.00 O ATOM 620 CB ASP A 40 -6.127 -8.024 0.311 1.00 0.00 C ATOM 621 CG ASP A 40 -6.405 -9.508 0.174 1.00 0.00 C ATOM 622 OD1 ASP A 40 -5.855 -10.292 0.976 1.00 0.00 O ATOM 623 OD2 ASP A 40 -7.173 -9.885 -0.736 1.00 0.00 O ATOM 0 H ASP A 40 -5.118 -6.169 1.630 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.089 -8.509 0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.558 -7.661 1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.623 -7.488 -0.498 1.00 0.00 H new ATOM 628 N ASP A 41 -4.226 -6.414 -1.725 1.00 0.00 N ATOM 629 CA ASP A 41 -3.791 -6.190 -3.099 1.00 0.00 C ATOM 630 C ASP A 41 -2.281 -5.989 -3.166 1.00 0.00 C ATOM 631 O ASP A 41 -1.618 -6.479 -4.082 1.00 0.00 O ATOM 632 CB ASP A 41 -4.507 -4.975 -3.691 1.00 0.00 C ATOM 633 CG ASP A 41 -5.808 -5.345 -4.376 1.00 0.00 C ATOM 634 OD1 ASP A 41 -6.853 -5.364 -3.693 1.00 0.00 O ATOM 635 OD2 ASP A 41 -5.781 -5.617 -5.594 1.00 0.00 O ATOM 0 H ASP A 41 -4.591 -5.584 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.047 -7.074 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.709 -4.255 -2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.849 -4.483 -4.408 1.00 0.00 H new ATOM 640 N LEU A 42 -1.742 -5.265 -2.191 1.00 0.00 N ATOM 641 CA LEU A 42 -0.309 -4.998 -2.139 1.00 0.00 C ATOM 642 C LEU A 42 0.483 -6.296 -2.011 1.00 0.00 C ATOM 643 O LEU A 42 1.594 -6.412 -2.530 1.00 0.00 O ATOM 644 CB LEU A 42 0.015 -4.072 -0.965 1.00 0.00 C ATOM 645 CG LEU A 42 -0.408 -2.612 -1.126 1.00 0.00 C ATOM 646 CD1 LEU A 42 -0.143 -1.835 0.155 1.00 0.00 C ATOM 647 CD2 LEU A 42 0.319 -1.972 -2.300 1.00 0.00 C ATOM 0 H LEU A 42 -2.276 -4.852 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.022 -4.509 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.463 -4.471 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.091 -4.101 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.479 -2.584 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.450 -0.798 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.710 -2.279 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.921 -1.871 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.005 -0.933 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.394 -2.011 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.079 -2.513 -3.215 1.00 0.00 H new ATOM 659 N LYS A 43 -0.097 -7.271 -1.319 1.00 0.00 N ATOM 660 CA LYS A 43 0.552 -8.562 -1.126 1.00 0.00 C ATOM 661 C LYS A 43 0.954 -9.175 -2.463 1.00 0.00 C ATOM 662 O LYS A 43 1.765 -10.099 -2.514 1.00 0.00 O ATOM 663 CB LYS A 43 -0.380 -9.516 -0.375 1.00 0.00 C ATOM 664 CG LYS A 43 -1.320 -10.290 -1.285 1.00 0.00 C ATOM 665 CD LYS A 43 -2.497 -10.862 -0.513 1.00 0.00 C ATOM 666 CE LYS A 43 -2.075 -12.035 0.358 1.00 0.00 C ATOM 667 NZ LYS A 43 -3.190 -12.999 0.569 1.00 0.00 N ATOM 0 H LYS A 43 -1.015 -7.191 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 43 1.454 -8.403 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.221 -10.222 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.970 -8.945 0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.686 -9.634 -2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.774 -11.099 -1.770 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.937 -10.084 0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.269 -11.185 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.234 -12.549 -0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.728 -11.665 1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.862 -13.784 1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.983 -12.515 1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.505 -13.372 -0.349 1.00 0.00 H new ATOM 681 N ASP A 44 0.383 -8.653 -3.543 1.00 0.00 N ATOM 682 CA ASP A 44 0.684 -9.147 -4.882 1.00 0.00 C ATOM 683 C ASP A 44 1.332 -8.058 -5.730 1.00 0.00 C ATOM 684 O ASP A 44 1.196 -8.047 -6.954 1.00 0.00 O ATOM 685 CB ASP A 44 -0.590 -9.651 -5.562 1.00 0.00 C ATOM 686 CG ASP A 44 -1.582 -8.536 -5.830 1.00 0.00 C ATOM 687 OD1 ASP A 44 -1.204 -7.555 -6.505 1.00 0.00 O ATOM 688 OD2 ASP A 44 -2.736 -8.643 -5.365 1.00 0.00 O ATOM 0 H ASP A 44 -0.291 -7.888 -3.518 1.00 0.00 H new ATOM 0 HA ASP A 44 1.387 -9.975 -4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.329 -10.135 -6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.059 -10.408 -4.933 1.00 0.00 H new ATOM 693 N ILE A 45 2.036 -7.143 -5.073 1.00 0.00 N ATOM 694 CA ILE A 45 2.704 -6.049 -5.767 1.00 0.00 C ATOM 695 C ILE A 45 4.204 -6.302 -5.874 1.00 0.00 C ATOM 696 O ILE A 45 4.813 -6.886 -4.978 1.00 0.00 O ATOM 697 CB ILE A 45 2.472 -4.704 -5.054 1.00 0.00 C ATOM 698 CG1 ILE A 45 2.810 -3.541 -5.989 1.00 0.00 C ATOM 699 CG2 ILE A 45 3.303 -4.628 -3.782 1.00 0.00 C ATOM 700 CD1 ILE A 45 2.017 -2.285 -5.702 1.00 0.00 C ATOM 0 H ILE A 45 2.159 -7.137 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 45 2.273 -6.000 -6.767 1.00 0.00 H new ATOM 0 HB ILE A 45 1.419 -4.631 -4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.873 -3.316 -5.907 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.628 -3.849 -7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.128 -3.671 -3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.017 -5.439 -3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.360 -4.719 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.308 -1.503 -6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.953 -2.493 -5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.218 -1.953 -4.683 1.00 0.00 H new ATOM 712 N LYS A 46 4.796 -5.856 -6.977 1.00 0.00 N ATOM 713 CA LYS A 46 6.226 -6.030 -7.203 1.00 0.00 C ATOM 714 C LYS A 46 6.895 -4.695 -7.513 1.00 0.00 C ATOM 715 O LYS A 46 6.241 -3.752 -7.958 1.00 0.00 O ATOM 716 CB LYS A 46 6.467 -7.012 -8.352 1.00 0.00 C ATOM 717 CG LYS A 46 5.729 -8.329 -8.191 1.00 0.00 C ATOM 718 CD LYS A 46 6.434 -9.246 -7.205 1.00 0.00 C ATOM 719 CE LYS A 46 7.765 -9.736 -7.754 1.00 0.00 C ATOM 720 NZ LYS A 46 8.884 -8.823 -7.392 1.00 0.00 N ATOM 0 H LYS A 46 4.307 -5.371 -7.729 1.00 0.00 H new ATOM 0 HA LYS A 46 6.665 -6.433 -6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.160 -6.545 -9.288 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.536 -7.211 -8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.712 -8.138 -7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.651 -8.824 -9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.599 -8.716 -6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.795 -10.100 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.972 -10.734 -7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.701 -9.820 -8.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.251 -8.367 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.539 -8.095 -6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.644 -9.369 -6.938 1.00 0.00 H new ATOM 734 N GLU A 47 8.201 -4.622 -7.276 1.00 0.00 N ATOM 735 CA GLU A 47 8.956 -3.402 -7.531 1.00 0.00 C ATOM 736 C GLU A 47 8.524 -2.759 -8.846 1.00 0.00 C ATOM 737 O GLU A 47 8.367 -1.541 -8.932 1.00 0.00 O ATOM 738 CB GLU A 47 10.456 -3.702 -7.566 1.00 0.00 C ATOM 739 CG GLU A 47 11.321 -2.531 -7.130 1.00 0.00 C ATOM 740 CD GLU A 47 12.781 -2.911 -6.971 1.00 0.00 C ATOM 741 OE1 GLU A 47 13.075 -3.805 -6.150 1.00 0.00 O ATOM 742 OE2 GLU A 47 13.628 -2.315 -7.668 1.00 0.00 O ATOM 0 H GLU A 47 8.758 -5.393 -6.908 1.00 0.00 H new ATOM 0 HA GLU A 47 8.751 -2.703 -6.720 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.662 -4.556 -6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.736 -3.993 -8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.236 -1.729 -7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.946 -2.140 -6.184 1.00 0.00 H new ATOM 749 N SER A 48 8.336 -3.588 -9.868 1.00 0.00 N ATOM 750 CA SER A 48 7.926 -3.101 -11.181 1.00 0.00 C ATOM 751 C SER A 48 6.596 -2.359 -11.095 1.00 0.00 C ATOM 752 O SER A 48 6.486 -1.207 -11.515 1.00 0.00 O ATOM 753 CB SER A 48 7.811 -4.266 -12.166 1.00 0.00 C ATOM 754 OG SER A 48 8.977 -5.071 -12.143 1.00 0.00 O ATOM 0 H SER A 48 8.461 -4.599 -9.813 1.00 0.00 H new ATOM 0 HA SER A 48 8.686 -2.406 -11.538 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.941 -4.873 -11.916 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.651 -3.880 -13.173 1.00 0.00 H new ATOM 0 HG SER A 48 8.877 -5.809 -12.780 1.00 0.00 H new ATOM 760 N HIS A 49 5.587 -3.028 -10.547 1.00 0.00 N ATOM 761 CA HIS A 49 4.263 -2.433 -10.404 1.00 0.00 C ATOM 762 C HIS A 49 4.367 -0.973 -9.974 1.00 0.00 C ATOM 763 O HIS A 49 3.792 -0.086 -10.607 1.00 0.00 O ATOM 764 CB HIS A 49 3.434 -3.218 -9.387 1.00 0.00 C ATOM 765 CG HIS A 49 2.748 -4.416 -9.969 1.00 0.00 C ATOM 766 ND1 HIS A 49 3.344 -5.656 -10.056 1.00 0.00 N ATOM 767 CD2 HIS A 49 1.509 -4.558 -10.494 1.00 0.00 C ATOM 768 CE1 HIS A 49 2.502 -6.509 -10.611 1.00 0.00 C ATOM 769 NE2 HIS A 49 1.380 -5.867 -10.886 1.00 0.00 N ATOM 0 H HIS A 49 5.661 -3.982 -10.195 1.00 0.00 H new ATOM 0 HA HIS A 49 3.767 -2.474 -11.374 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.083 -3.541 -8.573 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.685 -2.556 -8.953 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.761 -3.785 -10.587 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.697 -7.553 -10.807 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.553 -6.278 -11.319 1.00 0.00 H new ATOM 778 N LEU A 50 5.103 -0.730 -8.896 1.00 0.00 N ATOM 779 CA LEU A 50 5.282 0.623 -8.381 1.00 0.00 C ATOM 780 C LEU A 50 5.770 1.563 -9.478 1.00 0.00 C ATOM 781 O LEU A 50 5.179 2.617 -9.715 1.00 0.00 O ATOM 782 CB LEU A 50 6.276 0.620 -7.217 1.00 0.00 C ATOM 783 CG LEU A 50 5.974 -0.356 -6.080 1.00 0.00 C ATOM 784 CD1 LEU A 50 7.097 -0.346 -5.055 1.00 0.00 C ATOM 785 CD2 LEU A 50 4.645 -0.013 -5.421 1.00 0.00 C ATOM 0 H LEU A 50 5.586 -1.452 -8.361 1.00 0.00 H new ATOM 0 HA LEU A 50 4.316 0.980 -8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.266 0.392 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.322 1.627 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 50 5.901 -1.360 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.864 -1.047 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.030 -0.641 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.203 0.657 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.446 -0.718 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.690 0.998 -5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.846 -0.073 -6.160 1.00 0.00 H new ATOM 797 N ILE A 51 6.851 1.174 -10.146 1.00 0.00 N ATOM 798 CA ILE A 51 7.416 1.981 -11.221 1.00 0.00 C ATOM 799 C ILE A 51 6.330 2.457 -12.180 1.00 0.00 C ATOM 800 O ILE A 51 6.222 3.649 -12.467 1.00 0.00 O ATOM 801 CB ILE A 51 8.478 1.197 -12.014 1.00 0.00 C ATOM 802 CG1 ILE A 51 9.596 0.723 -11.083 1.00 0.00 C ATOM 803 CG2 ILE A 51 9.044 2.057 -13.134 1.00 0.00 C ATOM 804 CD1 ILE A 51 10.469 -0.355 -11.686 1.00 0.00 C ATOM 0 H ILE A 51 7.353 0.305 -9.962 1.00 0.00 H new ATOM 0 HA ILE A 51 7.888 2.845 -10.753 1.00 0.00 H new ATOM 0 HB ILE A 51 8.005 0.321 -12.458 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.219 1.576 -10.814 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.154 0.347 -10.160 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.793 1.489 -13.686 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.240 2.349 -13.810 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.504 2.949 -12.710 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.239 -0.642 -10.970 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.858 -1.224 -11.930 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.940 0.023 -12.593 1.00 0.00 H new ATOM 816 N GLU A 52 5.527 1.518 -12.669 1.00 0.00 N ATOM 817 CA GLU A 52 4.448 1.843 -13.595 1.00 0.00 C ATOM 818 C GLU A 52 3.426 2.766 -12.938 1.00 0.00 C ATOM 819 O GLU A 52 2.692 3.483 -13.619 1.00 0.00 O ATOM 820 CB GLU A 52 3.761 0.565 -14.080 1.00 0.00 C ATOM 821 CG GLU A 52 4.566 -0.206 -15.113 1.00 0.00 C ATOM 822 CD GLU A 52 3.789 -1.360 -15.716 1.00 0.00 C ATOM 823 OE1 GLU A 52 3.583 -2.370 -15.011 1.00 0.00 O ATOM 824 OE2 GLU A 52 3.388 -1.253 -16.894 1.00 0.00 O ATOM 0 H GLU A 52 5.603 0.527 -12.440 1.00 0.00 H new ATOM 0 HA GLU A 52 4.881 2.361 -14.451 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.570 -0.082 -13.224 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.792 0.823 -14.506 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.876 0.473 -15.907 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.475 -0.588 -14.648 1.00 0.00 H new ATOM 831 N LEU A 53 3.384 2.741 -11.610 1.00 0.00 N ATOM 832 CA LEU A 53 2.452 3.575 -10.859 1.00 0.00 C ATOM 833 C LEU A 53 3.010 4.981 -10.670 1.00 0.00 C ATOM 834 O LEU A 53 2.543 5.736 -9.818 1.00 0.00 O ATOM 835 CB LEU A 53 2.156 2.944 -9.497 1.00 0.00 C ATOM 836 CG LEU A 53 1.355 1.641 -9.521 1.00 0.00 C ATOM 837 CD1 LEU A 53 1.179 1.098 -8.111 1.00 0.00 C ATOM 838 CD2 LEU A 53 0.002 1.860 -10.182 1.00 0.00 C ATOM 0 H LEU A 53 3.984 2.153 -11.032 1.00 0.00 H new ATOM 0 HA LEU A 53 1.526 3.646 -11.429 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.104 2.755 -8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.612 3.670 -8.893 1.00 0.00 H new ATOM 0 HG LEU A 53 1.909 0.906 -10.106 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.607 0.171 -8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.157 0.904 -7.671 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.647 1.830 -7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.555 0.923 -10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.559 2.610 -9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.149 2.204 -11.206 1.00 0.00 H new ATOM 850 N ASN A 54 4.011 5.328 -11.473 1.00 0.00 N ATOM 851 CA ASN A 54 4.632 6.646 -11.395 1.00 0.00 C ATOM 852 C ASN A 54 5.538 6.748 -10.172 1.00 0.00 C ATOM 853 O ASN A 54 5.785 7.841 -9.660 1.00 0.00 O ATOM 854 CB ASN A 54 3.560 7.736 -11.342 1.00 0.00 C ATOM 855 CG ASN A 54 4.095 9.094 -11.751 1.00 0.00 C ATOM 856 OD1 ASN A 54 4.130 10.027 -10.949 1.00 0.00 O ATOM 857 ND2 ASN A 54 4.516 9.210 -13.005 1.00 0.00 N ATOM 0 H ASN A 54 4.409 4.715 -12.185 1.00 0.00 H new ATOM 0 HA ASN A 54 5.240 6.787 -12.289 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.734 7.461 -11.998 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.157 7.797 -10.331 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.887 10.100 -13.338 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.468 8.409 -13.635 1.00 0.00 H new ATOM 864 N ILE A 55 6.031 5.604 -9.710 1.00 0.00 N ATOM 865 CA ILE A 55 6.912 5.566 -8.549 1.00 0.00 C ATOM 866 C ILE A 55 8.358 5.317 -8.964 1.00 0.00 C ATOM 867 O ILE A 55 9.141 4.741 -8.208 1.00 0.00 O ATOM 868 CB ILE A 55 6.480 4.474 -7.552 1.00 0.00 C ATOM 869 CG1 ILE A 55 4.957 4.459 -7.405 1.00 0.00 C ATOM 870 CG2 ILE A 55 7.145 4.698 -6.202 1.00 0.00 C ATOM 871 CD1 ILE A 55 4.458 3.457 -6.388 1.00 0.00 C ATOM 0 H ILE A 55 5.836 4.691 -10.122 1.00 0.00 H new ATOM 0 HA ILE A 55 6.839 6.540 -8.064 1.00 0.00 H new ATOM 0 HB ILE A 55 6.798 3.505 -7.937 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.618 5.455 -7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.509 4.236 -8.373 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.830 3.919 -5.508 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.228 4.663 -6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.854 5.672 -5.810 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.370 3.502 -6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.767 2.454 -6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.877 3.692 -5.410 1.00 0.00 H new ATOM 883 N ALA A 56 8.706 5.756 -10.169 1.00 0.00 N ATOM 884 CA ALA A 56 10.059 5.585 -10.682 1.00 0.00 C ATOM 885 C ALA A 56 11.095 5.789 -9.582 1.00 0.00 C ATOM 886 O ALA A 56 12.201 5.254 -9.650 1.00 0.00 O ATOM 887 CB ALA A 56 10.313 6.547 -11.833 1.00 0.00 C ATOM 0 H ALA A 56 8.070 6.233 -10.808 1.00 0.00 H new ATOM 0 HA ALA A 56 10.154 4.563 -11.049 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.328 6.408 -12.206 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.601 6.351 -12.635 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.192 7.572 -11.484 1.00 0.00 H new ATOM 893 N ASP A 57 10.728 6.567 -8.569 1.00 0.00 N ATOM 894 CA ASP A 57 11.626 6.842 -7.453 1.00 0.00 C ATOM 895 C ASP A 57 11.677 5.658 -6.492 1.00 0.00 C ATOM 896 O ASP A 57 10.651 5.136 -6.057 1.00 0.00 O ATOM 897 CB ASP A 57 11.177 8.100 -6.708 1.00 0.00 C ATOM 898 CG ASP A 57 11.796 9.362 -7.277 1.00 0.00 C ATOM 899 OD1 ASP A 57 12.939 9.290 -7.775 1.00 0.00 O ATOM 900 OD2 ASP A 57 11.137 10.421 -7.225 1.00 0.00 O ATOM 0 H ASP A 57 9.816 7.018 -8.498 1.00 0.00 H new ATOM 0 HA ASP A 57 12.626 7.004 -7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.091 8.178 -6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.445 8.010 -5.655 1.00 0.00 H new ATOM 905 N PRO A 58 12.900 5.223 -6.153 1.00 0.00 N ATOM 906 CA PRO A 58 13.114 4.096 -5.241 1.00 0.00 C ATOM 907 C PRO A 58 12.728 4.431 -3.805 1.00 0.00 C ATOM 908 O PRO A 58 12.382 3.546 -3.023 1.00 0.00 O ATOM 909 CB PRO A 58 14.620 3.838 -5.344 1.00 0.00 C ATOM 910 CG PRO A 58 15.201 5.145 -5.759 1.00 0.00 C ATOM 911 CD PRO A 58 14.167 5.799 -6.634 1.00 0.00 C ATOM 0 HA PRO A 58 12.501 3.235 -5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.031 3.507 -4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.839 3.058 -6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.426 5.765 -4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.136 5.002 -6.300 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.180 6.884 -6.530 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.334 5.578 -7.688 1.00 0.00 H new ATOM 919 N GLU A 59 12.790 5.715 -3.464 1.00 0.00 N ATOM 920 CA GLU A 59 12.447 6.165 -2.120 1.00 0.00 C ATOM 921 C GLU A 59 11.048 5.696 -1.730 1.00 0.00 C ATOM 922 O GLU A 59 10.821 5.259 -0.602 1.00 0.00 O ATOM 923 CB GLU A 59 12.529 7.690 -2.033 1.00 0.00 C ATOM 924 CG GLU A 59 13.904 8.205 -1.645 1.00 0.00 C ATOM 925 CD GLU A 59 14.085 8.309 -0.143 1.00 0.00 C ATOM 926 OE1 GLU A 59 13.692 7.361 0.569 1.00 0.00 O ATOM 927 OE2 GLU A 59 14.620 9.338 0.322 1.00 0.00 O ATOM 0 H GLU A 59 13.074 6.461 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 59 13.164 5.730 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.250 8.116 -2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.799 8.044 -1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 59 14.665 7.541 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.061 9.185 -2.095 1.00 0.00 H new ATOM 934 N ASP A 60 10.115 5.792 -2.670 1.00 0.00 N ATOM 935 CA ASP A 60 8.738 5.378 -2.426 1.00 0.00 C ATOM 936 C ASP A 60 8.588 3.868 -2.588 1.00 0.00 C ATOM 937 O ASP A 60 7.982 3.201 -1.749 1.00 0.00 O ATOM 938 CB ASP A 60 7.788 6.102 -3.381 1.00 0.00 C ATOM 939 CG ASP A 60 6.358 5.616 -3.253 1.00 0.00 C ATOM 940 OD1 ASP A 60 6.139 4.584 -2.586 1.00 0.00 O ATOM 941 OD2 ASP A 60 5.457 6.270 -3.820 1.00 0.00 O ATOM 0 H ASP A 60 10.287 6.153 -3.608 1.00 0.00 H new ATOM 0 HA ASP A 60 8.481 5.643 -1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.824 7.173 -3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.128 5.957 -4.406 1.00 0.00 H new ATOM 946 N ARG A 61 9.144 3.336 -3.672 1.00 0.00 N ATOM 947 CA ARG A 61 9.070 1.906 -3.944 1.00 0.00 C ATOM 948 C ARG A 61 9.565 1.098 -2.748 1.00 0.00 C ATOM 949 O ARG A 61 8.901 0.163 -2.300 1.00 0.00 O ATOM 950 CB ARG A 61 9.895 1.558 -5.185 1.00 0.00 C ATOM 951 CG ARG A 61 9.267 2.031 -6.486 1.00 0.00 C ATOM 952 CD ARG A 61 9.609 1.102 -7.640 1.00 0.00 C ATOM 953 NE ARG A 61 11.049 1.019 -7.868 1.00 0.00 N ATOM 954 CZ ARG A 61 11.727 1.891 -8.606 1.00 0.00 C ATOM 955 NH1 ARG A 61 11.099 2.905 -9.185 1.00 0.00 N ATOM 956 NH2 ARG A 61 13.037 1.749 -8.767 1.00 0.00 N ATOM 0 H ARG A 61 9.650 3.874 -4.375 1.00 0.00 H new ATOM 0 HA ARG A 61 8.026 1.650 -4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.886 2.001 -5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.031 0.477 -5.229 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.185 2.086 -6.370 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.614 3.039 -6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.217 0.106 -7.432 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.118 1.455 -8.547 1.00 0.00 H new ATOM 0 HE ARG A 61 11.562 0.250 -7.437 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.092 3.017 -9.064 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.622 3.573 -9.751 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.524 0.970 -8.324 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.557 2.419 -9.334 1.00 0.00 H new ATOM 970 N ALA A 62 10.735 1.465 -2.237 1.00 0.00 N ATOM 971 CA ALA A 62 11.318 0.775 -1.092 1.00 0.00 C ATOM 972 C ALA A 62 10.439 0.923 0.144 1.00 0.00 C ATOM 973 O ALA A 62 10.089 -0.065 0.791 1.00 0.00 O ATOM 974 CB ALA A 62 12.717 1.306 -0.813 1.00 0.00 C ATOM 0 H ALA A 62 11.298 2.236 -2.597 1.00 0.00 H new ATOM 0 HA ALA A 62 11.384 -0.286 -1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.141 0.782 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 62 13.349 1.143 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.665 2.373 -0.597 1.00 0.00 H new ATOM 980 N ARG A 63 10.084 2.162 0.468 1.00 0.00 N ATOM 981 CA ARG A 63 9.246 2.439 1.629 1.00 0.00 C ATOM 982 C ARG A 63 7.919 1.691 1.532 1.00 0.00 C ATOM 983 O ARG A 63 7.319 1.335 2.547 1.00 0.00 O ATOM 984 CB ARG A 63 8.989 3.942 1.753 1.00 0.00 C ATOM 985 CG ARG A 63 10.089 4.689 2.487 1.00 0.00 C ATOM 986 CD ARG A 63 9.783 6.176 2.586 1.00 0.00 C ATOM 987 NE ARG A 63 10.999 6.981 2.666 1.00 0.00 N ATOM 988 CZ ARG A 63 11.009 8.265 3.004 1.00 0.00 C ATOM 989 NH1 ARG A 63 9.874 8.887 3.293 1.00 0.00 N ATOM 990 NH2 ARG A 63 12.156 8.931 3.055 1.00 0.00 N ATOM 0 H ARG A 63 10.364 2.990 -0.057 1.00 0.00 H new ATOM 0 HA ARG A 63 9.774 2.094 2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.877 4.366 0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.045 4.099 2.274 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.207 4.273 3.488 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.037 4.545 1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.200 6.485 1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.167 6.362 3.466 1.00 0.00 H new ATOM 0 HE ARG A 63 11.889 6.532 2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.990 8.379 3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.885 9.873 3.552 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.032 8.456 2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.162 9.917 3.315 1.00 0.00 H new ATOM 1004 N LEU A 64 7.467 1.456 0.305 1.00 0.00 N ATOM 1005 CA LEU A 64 6.210 0.751 0.075 1.00 0.00 C ATOM 1006 C LEU A 64 6.391 -0.753 0.249 1.00 0.00 C ATOM 1007 O LEU A 64 5.595 -1.411 0.921 1.00 0.00 O ATOM 1008 CB LEU A 64 5.682 1.054 -1.328 1.00 0.00 C ATOM 1009 CG LEU A 64 4.162 1.052 -1.488 1.00 0.00 C ATOM 1010 CD1 LEU A 64 3.762 1.711 -2.799 1.00 0.00 C ATOM 1011 CD2 LEU A 64 3.620 -0.368 -1.416 1.00 0.00 C ATOM 0 H LEU A 64 7.951 1.743 -0.546 1.00 0.00 H new ATOM 0 HA LEU A 64 5.486 1.099 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.058 2.031 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.101 0.322 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 64 3.729 1.627 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.676 1.700 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.117 2.741 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.205 1.164 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.536 -0.350 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.060 -0.966 -2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.875 -0.806 -0.451 1.00 0.00 H new ATOM 1023 N LEU A 65 7.443 -1.292 -0.357 1.00 0.00 N ATOM 1024 CA LEU A 65 7.729 -2.719 -0.268 1.00 0.00 C ATOM 1025 C LEU A 65 8.069 -3.118 1.165 1.00 0.00 C ATOM 1026 O LEU A 65 7.419 -3.984 1.750 1.00 0.00 O ATOM 1027 CB LEU A 65 8.886 -3.087 -1.199 1.00 0.00 C ATOM 1028 CG LEU A 65 8.679 -2.774 -2.682 1.00 0.00 C ATOM 1029 CD1 LEU A 65 10.009 -2.469 -3.354 1.00 0.00 C ATOM 1030 CD2 LEU A 65 7.980 -3.933 -3.378 1.00 0.00 C ATOM 0 H LEU A 65 8.112 -0.762 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 65 6.836 -3.263 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.780 -2.564 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.083 -4.154 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 65 8.044 -1.891 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.842 -2.249 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.471 -1.607 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.669 -3.332 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.841 -3.694 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.589 -4.832 -3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.009 -4.104 -2.913 1.00 0.00 H new ATOM 1042 N SER A 66 9.091 -2.478 1.725 1.00 0.00 N ATOM 1043 CA SER A 66 9.518 -2.767 3.089 1.00 0.00 C ATOM 1044 C SER A 66 8.337 -2.703 4.053 1.00 0.00 C ATOM 1045 O SER A 66 8.146 -3.598 4.876 1.00 0.00 O ATOM 1046 CB SER A 66 10.602 -1.779 3.526 1.00 0.00 C ATOM 1047 OG SER A 66 11.755 -1.893 2.711 1.00 0.00 O ATOM 0 H SER A 66 9.638 -1.757 1.255 1.00 0.00 H new ATOM 0 HA SER A 66 9.927 -3.777 3.110 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.214 -0.762 3.472 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.869 -1.964 4.567 1.00 0.00 H new ATOM 0 HG SER A 66 11.622 -1.387 1.883 1.00 0.00 H new ATOM 1053 N ALA A 67 7.549 -1.639 3.944 1.00 0.00 N ATOM 1054 CA ALA A 67 6.386 -1.459 4.804 1.00 0.00 C ATOM 1055 C ALA A 67 5.387 -2.597 4.622 1.00 0.00 C ATOM 1056 O ALA A 67 5.002 -3.257 5.586 1.00 0.00 O ATOM 1057 CB ALA A 67 5.721 -0.120 4.519 1.00 0.00 C ATOM 0 H ALA A 67 7.695 -0.889 3.269 1.00 0.00 H new ATOM 0 HA ALA A 67 6.726 -1.471 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.854 0.001 5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.430 0.686 4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.402 -0.087 3.477 1.00 0.00 H new ATOM 1063 N ALA A 68 4.971 -2.820 3.380 1.00 0.00 N ATOM 1064 CA ALA A 68 4.018 -3.879 3.072 1.00 0.00 C ATOM 1065 C ALA A 68 4.527 -5.233 3.555 1.00 0.00 C ATOM 1066 O ALA A 68 3.756 -6.056 4.047 1.00 0.00 O ATOM 1067 CB ALA A 68 3.740 -3.920 1.576 1.00 0.00 C ATOM 0 H ALA A 68 5.279 -2.281 2.570 1.00 0.00 H new ATOM 0 HA ALA A 68 3.088 -3.662 3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.027 -4.715 1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.325 -2.964 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.669 -4.110 1.038 1.00 0.00 H new ATOM 1073 N GLU A 69 5.830 -5.457 3.409 1.00 0.00 N ATOM 1074 CA GLU A 69 6.440 -6.712 3.830 1.00 0.00 C ATOM 1075 C GLU A 69 6.237 -6.942 5.325 1.00 0.00 C ATOM 1076 O GLU A 69 5.820 -8.020 5.747 1.00 0.00 O ATOM 1077 CB GLU A 69 7.934 -6.715 3.500 1.00 0.00 C ATOM 1078 CG GLU A 69 8.232 -6.937 2.027 1.00 0.00 C ATOM 1079 CD GLU A 69 9.645 -6.534 1.650 1.00 0.00 C ATOM 1080 OE1 GLU A 69 10.597 -7.116 2.211 1.00 0.00 O ATOM 1081 OE2 GLU A 69 9.798 -5.637 0.796 1.00 0.00 O ATOM 0 H GLU A 69 6.482 -4.786 3.003 1.00 0.00 H new ATOM 0 HA GLU A 69 5.954 -7.522 3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.368 -5.764 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.425 -7.495 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.081 -7.989 1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.523 -6.367 1.427 1.00 0.00 H new ATOM 1088 N SER A 70 6.536 -5.920 6.120 1.00 0.00 N ATOM 1089 CA SER A 70 6.392 -6.011 7.568 1.00 0.00 C ATOM 1090 C SER A 70 4.963 -6.387 7.949 1.00 0.00 C ATOM 1091 O SER A 70 4.740 -7.286 8.761 1.00 0.00 O ATOM 1092 CB SER A 70 6.774 -4.683 8.225 1.00 0.00 C ATOM 1093 OG SER A 70 7.292 -4.889 9.528 1.00 0.00 O ATOM 0 H SER A 70 6.879 -5.020 5.786 1.00 0.00 H new ATOM 0 HA SER A 70 7.063 -6.792 7.926 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.516 -4.171 7.612 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.900 -4.034 8.276 1.00 0.00 H new ATOM 0 HG SER A 70 7.530 -4.026 9.926 1.00 0.00 H new ATOM 1099 N LEU A 71 3.998 -5.692 7.357 1.00 0.00 N ATOM 1100 CA LEU A 71 2.589 -5.952 7.633 1.00 0.00 C ATOM 1101 C LEU A 71 2.223 -7.392 7.290 1.00 0.00 C ATOM 1102 O LEU A 71 1.727 -8.136 8.137 1.00 0.00 O ATOM 1103 CB LEU A 71 1.707 -4.987 6.838 1.00 0.00 C ATOM 1104 CG LEU A 71 2.089 -3.508 6.918 1.00 0.00 C ATOM 1105 CD1 LEU A 71 1.545 -2.751 5.716 1.00 0.00 C ATOM 1106 CD2 LEU A 71 1.578 -2.895 8.213 1.00 0.00 C ATOM 0 H LEU A 71 4.165 -4.945 6.683 1.00 0.00 H new ATOM 0 HA LEU A 71 2.419 -5.797 8.698 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.724 -5.290 5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.679 -5.096 7.185 1.00 0.00 H new ATOM 0 HG LEU A 71 3.176 -3.432 6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.826 -1.701 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.960 -3.174 4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.458 -2.835 5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.859 -1.843 8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.492 -2.983 8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.016 -3.420 9.062 1.00 0.00 H new ATOM 1118 N LEU A 72 2.474 -7.781 6.045 1.00 0.00 N ATOM 1119 CA LEU A 72 2.173 -9.134 5.590 1.00 0.00 C ATOM 1120 C LEU A 72 3.240 -10.117 6.063 1.00 0.00 C ATOM 1121 O LEU A 72 4.286 -9.715 6.571 1.00 0.00 O ATOM 1122 CB LEU A 72 2.071 -9.169 4.064 1.00 0.00 C ATOM 1123 CG LEU A 72 1.065 -8.204 3.436 1.00 0.00 C ATOM 1124 CD1 LEU A 72 1.386 -7.979 1.967 1.00 0.00 C ATOM 1125 CD2 LEU A 72 -0.353 -8.732 3.599 1.00 0.00 C ATOM 0 H LEU A 72 2.885 -7.178 5.332 1.00 0.00 H new ATOM 0 HA LEU A 72 1.216 -9.431 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.056 -8.956 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.810 -10.183 3.761 1.00 0.00 H new ATOM 0 HG LEU A 72 1.137 -7.247 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.659 -7.290 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.386 -7.556 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.343 -8.930 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.056 -8.033 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.439 -9.702 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.581 -8.841 4.659 1.00 0.00 H new ATOM 1137 N SER A 73 2.967 -11.406 5.890 1.00 0.00 N ATOM 1138 CA SER A 73 3.903 -12.447 6.300 1.00 0.00 C ATOM 1139 C SER A 73 4.093 -13.475 5.189 1.00 0.00 C ATOM 1140 O SER A 73 4.052 -14.680 5.429 1.00 0.00 O ATOM 1141 CB SER A 73 3.404 -13.138 7.570 1.00 0.00 C ATOM 1142 OG SER A 73 3.396 -12.243 8.669 1.00 0.00 O ATOM 0 H SER A 73 2.106 -11.755 5.469 1.00 0.00 H new ATOM 0 HA SER A 73 4.865 -11.977 6.504 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.399 -13.526 7.406 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.042 -13.992 7.797 1.00 0.00 H new ATOM 0 HG SER A 73 3.071 -12.709 9.468 1.00 0.00 H new ATOM 1148 N GLY A 74 4.303 -12.987 3.969 1.00 0.00 N ATOM 1149 CA GLY A 74 4.496 -13.876 2.838 1.00 0.00 C ATOM 1150 C GLY A 74 5.948 -14.270 2.653 1.00 0.00 C ATOM 1151 O GLY A 74 6.864 -13.488 2.910 1.00 0.00 O ATOM 0 H GLY A 74 4.343 -11.993 3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.894 -14.774 2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.136 -13.389 1.931 1.00 0.00 H new ATOM 1155 N PRO A 75 6.175 -15.511 2.197 1.00 0.00 N ATOM 1156 CA PRO A 75 7.524 -16.036 1.969 1.00 0.00 C ATOM 1157 C PRO A 75 8.213 -15.369 0.783 1.00 0.00 C ATOM 1158 O PRO A 75 9.374 -15.651 0.488 1.00 0.00 O ATOM 1159 CB PRO A 75 7.284 -17.520 1.682 1.00 0.00 C ATOM 1160 CG PRO A 75 5.890 -17.584 1.160 1.00 0.00 C ATOM 1161 CD PRO A 75 5.131 -16.497 1.870 1.00 0.00 C ATOM 0 HA PRO A 75 8.181 -15.853 2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.998 -17.903 0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.397 -18.121 2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.870 -17.433 0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.446 -18.560 1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.357 -16.067 1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.637 -16.871 2.766 1.00 0.00 H new ATOM 1169 N SER A 76 7.489 -14.483 0.106 1.00 0.00 N ATOM 1170 CA SER A 76 8.029 -13.779 -1.051 1.00 0.00 C ATOM 1171 C SER A 76 9.088 -12.766 -0.624 1.00 0.00 C ATOM 1172 O SER A 76 8.772 -11.730 -0.041 1.00 0.00 O ATOM 1173 CB SER A 76 6.908 -13.071 -1.813 1.00 0.00 C ATOM 1174 OG SER A 76 6.150 -13.992 -2.578 1.00 0.00 O ATOM 0 H SER A 76 6.527 -14.236 0.339 1.00 0.00 H new ATOM 0 HA SER A 76 8.496 -14.513 -1.707 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.255 -12.555 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 76 7.333 -12.312 -2.469 1.00 0.00 H new ATOM 0 HG SER A 76 5.439 -13.515 -3.054 1.00 0.00 H new ATOM 1180 N SER A 77 10.346 -13.075 -0.921 1.00 0.00 N ATOM 1181 CA SER A 77 11.453 -12.195 -0.565 1.00 0.00 C ATOM 1182 C SER A 77 12.041 -11.532 -1.807 1.00 0.00 C ATOM 1183 O SER A 77 12.565 -12.204 -2.694 1.00 0.00 O ATOM 1184 CB SER A 77 12.541 -12.980 0.171 1.00 0.00 C ATOM 1185 OG SER A 77 13.225 -13.852 -0.712 1.00 0.00 O ATOM 0 H SER A 77 10.624 -13.928 -1.407 1.00 0.00 H new ATOM 0 HA SER A 77 11.068 -11.417 0.094 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.250 -12.287 0.625 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.094 -13.555 0.982 1.00 0.00 H new ATOM 0 HG SER A 77 13.182 -13.494 -1.623 1.00 0.00 H new ATOM 1191 N GLY A 78 11.949 -10.206 -1.863 1.00 0.00 N ATOM 1192 CA GLY A 78 12.474 -9.473 -2.999 1.00 0.00 C ATOM 1193 C GLY A 78 11.538 -9.501 -4.191 1.00 0.00 C ATOM 1194 O GLY A 78 11.980 -9.600 -5.335 1.00 0.00 O ATOM 0 H GLY A 78 11.520 -9.627 -1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 78 12.655 -8.438 -2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.436 -9.896 -3.287 1.00 0.00 H new TER 1198 GLY A 78