USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 961 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 57 LYS NZ :NH3+ -164:sc= 2.8 (180deg=0.894) USER MOD Set 1.2: A 110 HIS : no HE2:sc= -0.594 K(o=2.2,f=-15!) USER MOD Set 2.1: A 70 GLN : amide:sc= 1.55 K(o=2.6,f=-4.6) USER MOD Set 2.2: A 73 LYS NZ :NH3+ 165:sc= 1.01 (180deg=0) USER MOD Set 3.1: A 67 GLN : amide:sc= 0.624 K(o=1.5,f=0.19) USER MOD Set 3.2: A 95 GLN : amide:sc= 0.835 K(o=1.5,f=-0.82) USER MOD Set 4.1: A 63 ASN : amide:sc= 1.94 K(o=3,f=-2.2) USER MOD Set 4.2: A 66 LYS NZ :NH3+ 174:sc= 1.08 (180deg=0) USER MOD Set 5.1: A 31 HIS : no HD1:sc= 0.29 K(o=0.00035,f=-10!) USER MOD Set 5.2: A 34 GLN :FLIP amide:sc= -0.289 F(o=-1.1,f=0.00035) USER MOD Set 6.1: A 24 HIS : no HE2:sc= 0.86 K(o=0.75,f=-5.9!) USER MOD Set 6.2: A 28 GLN : amide:sc= -0.115 K(o=0.75,f=-2.8!) USER MOD Set 7.1: A 1 GLY N :NH3+ 176:sc= 0.821 (180deg=0) USER MOD Set 7.2: A 6 ASN : amide:sc= 0.733 K(o=1.6,f=-7!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.138 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -90:sc= 1.11 USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= 0.989 (180deg=0.368) USER MOD Single : A 12 HIS : no HE2:sc= 0.58 K(o=0.58,f=-2.2!) USER MOD Single : A 13 MET CE :methyl 176:sc= 0 (180deg=-0.0167) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 1.16 (180deg=1.05) USER MOD Single : A 15 LYS NZ :NH3+ 150:sc= 0.841 (180deg=0.478) USER MOD Single : A 16 MET CE :methyl 156:sc= 0 (180deg=-0.0139) USER MOD Single : A 17 MET CE :methyl -173:sc= 0 (180deg=-0.0356) USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= 1.63 (180deg=-0.0486) USER MOD Single : A 29 SER OG : rot -52:sc= 1.24 USER MOD Single : A 38 HIS : no HE2:sc=-0.00958 X(o=-0.0096,f=-0.43) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.3) USER MOD Single : A 44 HIS : no HE2:sc= 0.736 K(o=0.74,f=-4!) USER MOD Single : A 46 THR OG1 : rot 163:sc= 0.841 USER MOD Single : A 51 LYS NZ :NH3+ -109:sc= 0.238 (180deg=-3.3!) USER MOD Single : A 53 HIS : no HE2:sc= 0.69 K(o=0.69,f=-2.2!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 31:sc= 0.231 USER MOD Single : A 81 ASN : amide:sc= -0.0586 K(o=-0.059,f=-11!) USER MOD Single : A 84 SER OG : rot 180:sc= 0.149 USER MOD Single : A 86 GLN : amide:sc= 0.0202 X(o=0.02,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 178:sc= 2.14 (180deg=2.11) USER MOD Single : A 88 TYR OH : rot -88:sc= 0.442 USER MOD Single : A 102 LYS NZ :NH3+ -167:sc= 2.11 (180deg=1.96) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -34:sc= 1.28 USER MOD Single : A 111 SER OG : rot -101:sc= 1.2 USER MOD Single : A 112 SER OG : rot 65:sc= 1.25 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.028 26.258 0.694 1.00 0.00 N ATOM 2 CA GLY A 1 10.444 25.994 -0.641 1.00 0.00 C ATOM 3 C GLY A 1 10.091 27.274 -1.353 1.00 0.00 C ATOM 4 O GLY A 1 10.602 28.327 -0.993 1.00 0.00 O ATOM 0 H1 GLY A 1 11.197 25.356 1.184 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.929 26.766 0.585 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.369 26.837 1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.153 25.425 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.551 25.378 -0.533 1.00 0.00 H new ATOM 10 N SER A 2 9.218 27.198 -2.351 1.00 0.00 N ATOM 11 CA SER A 2 8.763 28.386 -3.081 1.00 0.00 C ATOM 12 C SER A 2 7.883 29.209 -2.135 1.00 0.00 C ATOM 13 O SER A 2 7.445 28.688 -1.111 1.00 0.00 O ATOM 14 CB SER A 2 7.949 27.949 -4.305 1.00 0.00 C ATOM 15 OG SER A 2 6.785 27.245 -3.899 1.00 0.00 O ATOM 0 H SER A 2 8.807 26.324 -2.678 1.00 0.00 H new ATOM 0 HA SER A 2 9.611 28.981 -3.419 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.667 28.822 -4.893 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.559 27.315 -4.948 1.00 0.00 H new ATOM 0 HG SER A 2 6.274 26.974 -4.690 1.00 0.00 H new ATOM 21 N PRO A 3 7.598 30.489 -2.458 1.00 0.00 N ATOM 22 CA PRO A 3 6.723 31.226 -1.531 1.00 0.00 C ATOM 23 C PRO A 3 5.373 30.548 -1.283 1.00 0.00 C ATOM 24 O PRO A 3 4.864 30.560 -0.163 1.00 0.00 O ATOM 25 CB PRO A 3 6.531 32.575 -2.233 1.00 0.00 C ATOM 26 CG PRO A 3 7.738 32.724 -3.084 1.00 0.00 C ATOM 27 CD PRO A 3 8.011 31.339 -3.592 1.00 0.00 C ATOM 0 HA PRO A 3 7.166 31.294 -0.537 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.620 32.586 -2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.449 33.389 -1.513 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.562 33.420 -3.904 1.00 0.00 H new ATOM 0 HG3 PRO A 3 8.582 33.111 -2.512 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.438 31.118 -4.493 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.063 31.199 -3.841 1.00 0.00 H new ATOM 35 N GLU A 4 4.803 29.937 -2.317 1.00 0.00 N ATOM 36 CA GLU A 4 3.543 29.214 -2.157 1.00 0.00 C ATOM 37 C GLU A 4 3.736 28.050 -1.201 1.00 0.00 C ATOM 38 O GLU A 4 2.963 27.874 -0.285 1.00 0.00 O ATOM 39 CB GLU A 4 3.032 28.676 -3.494 1.00 0.00 C ATOM 40 CG GLU A 4 2.507 29.743 -4.430 1.00 0.00 C ATOM 41 CD GLU A 4 1.669 29.147 -5.553 1.00 0.00 C ATOM 42 OE1 GLU A 4 2.173 28.272 -6.288 1.00 0.00 O ATOM 43 OE2 GLU A 4 0.496 29.548 -5.697 1.00 0.00 O ATOM 0 H GLU A 4 5.186 29.926 -3.262 1.00 0.00 H new ATOM 0 HA GLU A 4 2.808 29.914 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.840 28.139 -3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.239 27.953 -3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.905 30.457 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.344 30.297 -4.855 1.00 0.00 H new ATOM 50 N PHE A 5 4.784 27.266 -1.405 1.00 0.00 N ATOM 51 CA PHE A 5 5.056 26.116 -0.542 1.00 0.00 C ATOM 52 C PHE A 5 5.255 26.567 0.904 1.00 0.00 C ATOM 53 O PHE A 5 4.830 25.899 1.833 1.00 0.00 O ATOM 54 CB PHE A 5 6.307 25.387 -1.036 1.00 0.00 C ATOM 55 CG PHE A 5 6.643 24.152 -0.247 1.00 0.00 C ATOM 56 CD1 PHE A 5 7.421 24.242 0.925 1.00 0.00 C ATOM 57 CD2 PHE A 5 6.194 22.887 -0.675 1.00 0.00 C ATOM 58 CE1 PHE A 5 7.750 23.084 1.665 1.00 0.00 C ATOM 59 CE2 PHE A 5 6.519 21.721 0.060 1.00 0.00 C ATOM 60 CZ PHE A 5 7.303 21.822 1.227 1.00 0.00 C ATOM 0 H PHE A 5 5.460 27.401 -2.157 1.00 0.00 H new ATOM 0 HA PHE A 5 4.203 25.439 -0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.166 25.112 -2.081 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.154 26.072 -0.998 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.770 25.207 1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.597 22.806 -1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.343 23.166 2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.167 20.756 -0.273 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.561 20.933 1.784 1.00 0.00 H new ATOM 70 N ASN A 6 5.896 27.712 1.088 1.00 0.00 N ATOM 71 CA ASN A 6 6.146 28.232 2.429 1.00 0.00 C ATOM 72 C ASN A 6 4.827 28.671 3.065 1.00 0.00 C ATOM 73 O ASN A 6 4.601 28.449 4.252 1.00 0.00 O ATOM 74 CB ASN A 6 7.127 29.411 2.383 1.00 0.00 C ATOM 75 CG ASN A 6 8.482 29.028 1.821 1.00 0.00 C ATOM 76 OD1 ASN A 6 8.871 27.863 1.808 1.00 0.00 O ATOM 77 ND2 ASN A 6 9.201 30.006 1.340 1.00 0.00 N ATOM 0 H ASN A 6 6.252 28.297 0.332 1.00 0.00 H new ATOM 0 HA ASN A 6 6.593 27.441 3.031 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.700 30.209 1.776 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.256 29.810 3.389 1.00 0.00 H new ATOM 0 HD21 ASN A 6 10.118 29.814 0.937 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.846 30.962 1.368 1.00 0.00 H new ATOM 84 N ARG A 7 3.946 29.276 2.276 1.00 0.00 N ATOM 85 CA ARG A 7 2.617 29.675 2.766 1.00 0.00 C ATOM 86 C ARG A 7 1.831 28.426 3.155 1.00 0.00 C ATOM 87 O ARG A 7 1.080 28.415 4.127 1.00 0.00 O ATOM 88 CB ARG A 7 1.865 30.437 1.664 1.00 0.00 C ATOM 89 CG ARG A 7 0.522 31.011 2.097 1.00 0.00 C ATOM 90 CD ARG A 7 -0.185 31.666 0.919 1.00 0.00 C ATOM 91 NE ARG A 7 -1.461 32.282 1.323 1.00 0.00 N ATOM 92 CZ ARG A 7 -2.306 32.904 0.506 1.00 0.00 C ATOM 93 NH1 ARG A 7 -2.080 33.020 -0.780 1.00 0.00 N ATOM 94 NH2 ARG A 7 -3.402 33.419 0.993 1.00 0.00 N ATOM 0 H ARG A 7 4.120 29.503 1.297 1.00 0.00 H new ATOM 0 HA ARG A 7 2.728 30.324 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.496 31.251 1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.704 29.766 0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.103 30.218 2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.672 31.743 2.891 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.463 32.425 0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.370 30.921 0.145 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.717 32.227 2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.232 32.626 -1.186 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.753 33.505 -1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.602 33.342 1.990 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.058 33.899 0.376 1.00 0.00 H new ATOM 108 N TYR A 8 2.024 27.374 2.381 1.00 0.00 N ATOM 109 CA TYR A 8 1.339 26.105 2.579 1.00 0.00 C ATOM 110 C TYR A 8 2.052 25.172 3.560 1.00 0.00 C ATOM 111 O TYR A 8 1.716 23.993 3.657 1.00 0.00 O ATOM 112 CB TYR A 8 1.221 25.400 1.225 1.00 0.00 C ATOM 113 CG TYR A 8 0.414 26.162 0.175 1.00 0.00 C ATOM 114 CD1 TYR A 8 -0.694 26.970 0.533 1.00 0.00 C ATOM 115 CD2 TYR A 8 0.752 26.066 -1.189 1.00 0.00 C ATOM 116 CE1 TYR A 8 -1.440 27.661 -0.457 1.00 0.00 C ATOM 117 CE2 TYR A 8 0.002 26.760 -2.179 1.00 0.00 C ATOM 118 CZ TYR A 8 -1.082 27.546 -1.801 1.00 0.00 C ATOM 119 OH TYR A 8 -1.807 28.202 -2.761 1.00 0.00 O ATOM 0 H TYR A 8 2.667 27.374 1.589 1.00 0.00 H new ATOM 0 HA TYR A 8 0.363 26.330 3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.223 25.223 0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.761 24.424 1.378 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.974 27.061 1.572 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.592 25.457 -1.488 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.282 28.274 -0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.273 26.677 -3.221 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.424 28.017 -3.644 1.00 0.00 H new ATOM 129 N SER A 9 3.032 25.680 4.292 1.00 0.00 N ATOM 130 CA SER A 9 3.799 24.846 5.221 1.00 0.00 C ATOM 131 C SER A 9 2.926 24.155 6.270 1.00 0.00 C ATOM 132 O SER A 9 3.201 23.021 6.666 1.00 0.00 O ATOM 133 CB SER A 9 4.849 25.697 5.930 1.00 0.00 C ATOM 134 OG SER A 9 4.251 26.862 6.476 1.00 0.00 O ATOM 0 H SER A 9 3.318 26.659 4.265 1.00 0.00 H new ATOM 0 HA SER A 9 4.269 24.065 4.624 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.322 25.117 6.722 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.634 25.978 5.228 1.00 0.00 H new ATOM 0 HG SER A 9 4.275 27.583 5.813 1.00 0.00 H new ATOM 140 N LYS A 10 1.867 24.822 6.717 1.00 0.00 N ATOM 141 CA LYS A 10 0.996 24.243 7.744 1.00 0.00 C ATOM 142 C LYS A 10 0.336 22.948 7.261 1.00 0.00 C ATOM 143 O LYS A 10 0.215 21.981 8.015 1.00 0.00 O ATOM 144 CB LYS A 10 -0.027 25.292 8.262 1.00 0.00 C ATOM 145 CG LYS A 10 -1.492 25.217 7.737 1.00 0.00 C ATOM 146 CD LYS A 10 -1.700 25.781 6.316 1.00 0.00 C ATOM 147 CE LYS A 10 -3.166 25.595 5.907 1.00 0.00 C ATOM 148 NZ LYS A 10 -3.429 25.921 4.470 1.00 0.00 N ATOM 0 H LYS A 10 1.591 25.749 6.393 1.00 0.00 H new ATOM 0 HA LYS A 10 1.614 23.963 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.059 25.216 9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.362 26.282 8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.815 24.176 7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.138 25.760 8.426 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.434 26.838 6.289 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.046 25.270 5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.460 24.563 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.794 26.226 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.249 25.376 4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.627 26.938 4.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.594 25.676 3.900 1.00 0.00 H new ATOM 162 N GLU A 11 -0.073 22.921 6.004 1.00 0.00 N ATOM 163 CA GLU A 11 -0.745 21.751 5.472 1.00 0.00 C ATOM 164 C GLU A 11 0.295 20.756 5.027 1.00 0.00 C ATOM 165 O GLU A 11 0.065 19.568 5.095 1.00 0.00 O ATOM 166 CB GLU A 11 -1.678 22.130 4.329 1.00 0.00 C ATOM 167 CG GLU A 11 -2.903 21.221 4.211 1.00 0.00 C ATOM 168 CD GLU A 11 -3.912 21.419 5.347 1.00 0.00 C ATOM 169 OE1 GLU A 11 -3.718 22.307 6.214 1.00 0.00 O ATOM 170 OE2 GLU A 11 -4.907 20.673 5.387 1.00 0.00 O ATOM 0 H GLU A 11 0.047 23.687 5.341 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.363 21.300 6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.011 23.158 4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.122 22.100 3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.397 21.409 3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.576 20.181 4.201 1.00 0.00 H new ATOM 177 N HIS A 12 1.457 21.241 4.609 1.00 0.00 N ATOM 178 CA HIS A 12 2.561 20.349 4.274 1.00 0.00 C ATOM 179 C HIS A 12 2.876 19.507 5.500 1.00 0.00 C ATOM 180 O HIS A 12 3.024 18.309 5.395 1.00 0.00 O ATOM 181 CB HIS A 12 3.811 21.126 3.854 1.00 0.00 C ATOM 182 CG HIS A 12 5.012 20.255 3.651 1.00 0.00 C ATOM 183 ND1 HIS A 12 5.156 19.353 2.626 1.00 0.00 N ATOM 184 CD2 HIS A 12 6.151 20.137 4.387 1.00 0.00 C ATOM 185 CE1 HIS A 12 6.325 18.747 2.768 1.00 0.00 C ATOM 186 NE2 HIS A 12 6.983 19.190 3.822 1.00 0.00 N ATOM 0 H HIS A 12 1.659 22.234 4.495 1.00 0.00 H new ATOM 0 HA HIS A 12 2.266 19.724 3.431 1.00 0.00 H new ATOM 0 HB2 HIS A 12 3.602 21.665 2.930 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.038 21.873 4.614 1.00 0.00 H new ATOM 0 HD1 HIS A 12 4.479 19.179 1.883 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.372 20.701 5.281 1.00 0.00 H new ATOM 0 HE1 HIS A 12 6.695 17.982 2.101 1.00 0.00 H new ATOM 194 N MET A 13 2.962 20.126 6.672 1.00 0.00 N ATOM 195 CA MET A 13 3.233 19.364 7.894 1.00 0.00 C ATOM 196 C MET A 13 2.062 18.442 8.256 1.00 0.00 C ATOM 197 O MET A 13 2.267 17.274 8.622 1.00 0.00 O ATOM 198 CB MET A 13 3.526 20.306 9.061 1.00 0.00 C ATOM 199 CG MET A 13 4.837 21.068 8.905 1.00 0.00 C ATOM 200 SD MET A 13 5.144 22.194 10.285 1.00 0.00 S ATOM 201 CE MET A 13 5.647 21.048 11.596 1.00 0.00 C ATOM 0 H MET A 13 2.851 21.131 6.806 1.00 0.00 H new ATOM 0 HA MET A 13 4.109 18.744 7.702 1.00 0.00 H new ATOM 0 HB2 MET A 13 2.708 21.020 9.157 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.556 19.730 9.986 1.00 0.00 H new ATOM 0 HG2 MET A 13 5.660 20.358 8.828 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.817 21.635 7.974 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.935 21.613 12.483 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.815 20.387 11.841 1.00 0.00 H new ATOM 0 HE3 MET A 13 6.494 20.453 11.254 1.00 0.00 H new ATOM 211 N LYS A 14 0.838 18.952 8.148 1.00 0.00 N ATOM 212 CA LYS A 14 -0.346 18.147 8.474 1.00 0.00 C ATOM 213 C LYS A 14 -0.419 16.906 7.591 1.00 0.00 C ATOM 214 O LYS A 14 -0.632 15.799 8.076 1.00 0.00 O ATOM 215 CB LYS A 14 -1.628 18.967 8.293 1.00 0.00 C ATOM 216 CG LYS A 14 -2.888 18.243 8.791 1.00 0.00 C ATOM 217 CD LYS A 14 -4.163 18.841 8.209 1.00 0.00 C ATOM 218 CE LYS A 14 -4.432 20.256 8.712 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.676 20.793 8.073 1.00 0.00 N ATOM 0 H LYS A 14 0.636 19.904 7.842 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.257 17.841 9.517 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.525 19.912 8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.750 19.209 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.828 17.188 8.524 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.928 18.294 9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.090 18.854 7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.009 18.202 8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.542 20.252 9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.585 20.902 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.773 21.804 8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.617 20.671 7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.503 20.277 8.436 1.00 0.00 H new ATOM 233 N LYS A 15 -0.231 17.084 6.294 1.00 0.00 N ATOM 234 CA LYS A 15 -0.282 15.961 5.372 1.00 0.00 C ATOM 235 C LYS A 15 0.970 15.113 5.480 1.00 0.00 C ATOM 236 O LYS A 15 0.897 13.930 5.291 1.00 0.00 O ATOM 237 CB LYS A 15 -0.517 16.427 3.938 1.00 0.00 C ATOM 238 CG LYS A 15 -1.898 16.015 3.436 1.00 0.00 C ATOM 239 CD LYS A 15 -2.107 16.366 1.971 1.00 0.00 C ATOM 240 CE LYS A 15 -3.318 15.632 1.388 1.00 0.00 C ATOM 241 NZ LYS A 15 -3.155 14.125 1.259 1.00 0.00 N ATOM 0 H LYS A 15 -0.043 17.987 5.858 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.131 15.338 5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.418 17.511 3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.249 16.005 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.026 14.941 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.663 16.506 4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.248 17.442 1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.214 16.107 1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.185 15.836 2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.534 16.045 0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.083 13.666 1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.754 13.898 0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.517 13.780 2.004 1.00 0.00 H new ATOM 255 N MET A 16 2.108 15.696 5.824 1.00 0.00 N ATOM 256 CA MET A 16 3.311 14.898 6.078 1.00 0.00 C ATOM 257 C MET A 16 3.006 13.944 7.222 1.00 0.00 C ATOM 258 O MET A 16 3.346 12.768 7.154 1.00 0.00 O ATOM 259 CB MET A 16 4.504 15.787 6.456 1.00 0.00 C ATOM 260 CG MET A 16 5.703 15.023 7.009 1.00 0.00 C ATOM 261 SD MET A 16 7.066 16.127 7.453 1.00 0.00 S ATOM 262 CE MET A 16 6.478 16.799 9.030 1.00 0.00 C ATOM 0 H MET A 16 2.230 16.703 5.934 1.00 0.00 H new ATOM 0 HA MET A 16 3.579 14.354 5.172 1.00 0.00 H new ATOM 0 HB2 MET A 16 4.819 16.347 5.575 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.179 16.516 7.198 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.397 14.454 7.887 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.047 14.303 6.267 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.329 17.135 9.622 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.812 17.641 8.841 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.939 16.025 9.577 1.00 0.00 H new ATOM 272 N MET A 17 2.357 14.444 8.269 1.00 0.00 N ATOM 273 CA MET A 17 1.999 13.581 9.395 1.00 0.00 C ATOM 274 C MET A 17 1.049 12.466 8.937 1.00 0.00 C ATOM 275 O MET A 17 1.285 11.298 9.221 1.00 0.00 O ATOM 276 CB MET A 17 1.364 14.405 10.519 1.00 0.00 C ATOM 277 CG MET A 17 1.058 13.600 11.776 1.00 0.00 C ATOM 278 SD MET A 17 0.335 14.635 13.076 1.00 0.00 S ATOM 279 CE MET A 17 1.781 15.534 13.678 1.00 0.00 C ATOM 0 H MET A 17 2.073 15.419 8.364 1.00 0.00 H new ATOM 0 HA MET A 17 2.908 13.119 9.780 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.034 15.225 10.778 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.440 14.852 10.152 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.371 12.790 11.531 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.974 13.139 12.145 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.508 16.114 14.560 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.567 14.826 13.939 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.142 16.206 12.899 1.00 0.00 H new ATOM 289 N LYS A 18 -0.008 12.828 8.217 1.00 0.00 N ATOM 290 CA LYS A 18 -0.981 11.845 7.717 1.00 0.00 C ATOM 291 C LYS A 18 -0.330 10.811 6.811 1.00 0.00 C ATOM 292 O LYS A 18 -0.489 9.614 6.992 1.00 0.00 O ATOM 293 CB LYS A 18 -2.079 12.565 6.894 1.00 0.00 C ATOM 294 CG LYS A 18 -3.103 11.623 6.195 1.00 0.00 C ATOM 295 CD LYS A 18 -3.965 12.386 5.167 1.00 0.00 C ATOM 296 CE LYS A 18 -4.924 11.451 4.391 1.00 0.00 C ATOM 297 NZ LYS A 18 -4.250 10.682 3.275 1.00 0.00 N ATOM 0 H LYS A 18 -0.218 13.793 7.963 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.403 11.343 8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.622 13.241 7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.597 13.181 6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.571 10.813 5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.749 11.166 6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.546 13.152 5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.313 12.900 4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.372 10.744 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.737 12.044 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.802 9.827 3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.194 11.280 2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.291 10.410 3.571 1.00 0.00 H new ATOM 311 N ASP A 19 0.362 11.302 5.805 1.00 0.00 N ATOM 312 CA ASP A 19 0.818 10.477 4.704 1.00 0.00 C ATOM 313 C ASP A 19 2.160 9.795 4.858 1.00 0.00 C ATOM 314 O ASP A 19 2.439 8.864 4.128 1.00 0.00 O ATOM 315 CB ASP A 19 0.686 11.284 3.415 1.00 0.00 C ATOM 316 CG ASP A 19 -0.772 11.610 3.125 1.00 0.00 C ATOM 317 OD1 ASP A 19 -1.558 10.670 3.264 1.00 0.00 O ATOM 318 OD2 ASP A 19 -1.159 12.764 2.807 1.00 0.00 O ATOM 0 H ASP A 19 0.625 12.284 5.726 1.00 0.00 H new ATOM 0 HA ASP A 19 0.164 9.605 4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.259 12.207 3.499 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.109 10.720 2.583 1.00 0.00 H new ATOM 323 N LEU A 20 2.996 10.188 5.806 1.00 0.00 N ATOM 324 CA LEU A 20 4.192 9.375 6.057 1.00 0.00 C ATOM 325 C LEU A 20 3.833 8.263 7.025 1.00 0.00 C ATOM 326 O LEU A 20 4.381 7.163 6.938 1.00 0.00 O ATOM 327 CB LEU A 20 5.386 10.187 6.547 1.00 0.00 C ATOM 328 CG LEU A 20 6.082 11.013 5.449 1.00 0.00 C ATOM 329 CD1 LEU A 20 7.401 11.541 6.021 1.00 0.00 C ATOM 330 CD2 LEU A 20 6.366 10.186 4.159 1.00 0.00 C ATOM 0 H LEU A 20 2.887 11.017 6.390 1.00 0.00 H new ATOM 0 HA LEU A 20 4.515 8.949 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.053 10.861 7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.114 9.509 6.992 1.00 0.00 H new ATOM 0 HG LEU A 20 5.416 11.826 5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.916 12.131 5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.196 12.166 6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.031 10.702 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.857 10.820 3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.014 9.344 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.426 9.815 3.750 1.00 0.00 H new ATOM 342 N GLU A 21 2.879 8.520 7.910 1.00 0.00 N ATOM 343 CA GLU A 21 2.341 7.449 8.748 1.00 0.00 C ATOM 344 C GLU A 21 1.626 6.517 7.766 1.00 0.00 C ATOM 345 O GLU A 21 1.646 5.301 7.900 1.00 0.00 O ATOM 346 CB GLU A 21 1.366 8.004 9.790 1.00 0.00 C ATOM 347 CG GLU A 21 0.993 7.004 10.876 1.00 0.00 C ATOM 348 CD GLU A 21 2.140 6.762 11.851 1.00 0.00 C ATOM 349 OE1 GLU A 21 2.558 7.725 12.535 1.00 0.00 O ATOM 350 OE2 GLU A 21 2.629 5.615 11.928 1.00 0.00 O ATOM 0 H GLU A 21 2.467 9.440 8.067 1.00 0.00 H new ATOM 0 HA GLU A 21 3.119 6.935 9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.809 8.884 10.256 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.458 8.334 9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.124 7.370 11.423 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.704 6.059 10.415 1.00 0.00 H new ATOM 357 N GLY A 22 1.024 7.119 6.749 1.00 0.00 N ATOM 358 CA GLY A 22 0.398 6.366 5.679 1.00 0.00 C ATOM 359 C GLY A 22 1.407 5.558 4.883 1.00 0.00 C ATOM 360 O GLY A 22 1.116 4.448 4.489 1.00 0.00 O ATOM 0 H GLY A 22 0.958 8.132 6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.352 5.696 6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.124 7.051 5.012 1.00 0.00 H new ATOM 364 N LEU A 23 2.598 6.098 4.649 1.00 0.00 N ATOM 365 CA LEU A 23 3.639 5.376 3.911 1.00 0.00 C ATOM 366 C LEU A 23 4.052 4.139 4.733 1.00 0.00 C ATOM 367 O LEU A 23 4.232 3.035 4.203 1.00 0.00 O ATOM 368 CB LEU A 23 4.839 6.294 3.635 1.00 0.00 C ATOM 369 CG LEU A 23 5.598 6.013 2.323 1.00 0.00 C ATOM 370 CD1 LEU A 23 6.499 7.198 1.990 1.00 0.00 C ATOM 371 CD2 LEU A 23 6.443 4.741 2.386 1.00 0.00 C ATOM 0 H LEU A 23 2.871 7.031 4.957 1.00 0.00 H new ATOM 0 HA LEU A 23 3.256 5.051 2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.489 7.326 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.539 6.208 4.466 1.00 0.00 H new ATOM 0 HG LEU A 23 4.847 5.867 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.035 6.998 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.891 8.095 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.215 7.349 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.953 4.596 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.181 4.833 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.798 3.885 2.586 1.00 0.00 H new ATOM 383 N HIS A 24 4.175 4.313 6.042 1.00 0.00 N ATOM 384 CA HIS A 24 4.481 3.178 6.913 1.00 0.00 C ATOM 385 C HIS A 24 3.300 2.199 6.894 1.00 0.00 C ATOM 386 O HIS A 24 3.483 0.991 6.922 1.00 0.00 O ATOM 387 CB HIS A 24 4.785 3.641 8.336 1.00 0.00 C ATOM 388 CG HIS A 24 5.144 2.521 9.266 1.00 0.00 C ATOM 389 ND1 HIS A 24 6.028 1.505 8.970 1.00 0.00 N ATOM 390 CD2 HIS A 24 4.710 2.252 10.527 1.00 0.00 C ATOM 391 CE1 HIS A 24 6.087 0.690 10.015 1.00 0.00 C ATOM 392 NE2 HIS A 24 5.301 1.093 10.995 1.00 0.00 N ATOM 0 H HIS A 24 4.071 5.208 6.520 1.00 0.00 H new ATOM 0 HA HIS A 24 5.373 2.674 6.542 1.00 0.00 H new ATOM 0 HB2 HIS A 24 5.606 4.357 8.309 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.916 4.167 8.732 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.547 1.399 8.098 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.007 2.856 11.081 1.00 0.00 H new ATOM 0 HE1 HIS A 24 6.703 -0.196 10.058 1.00 0.00 H new ATOM 400 N ARG A 25 2.079 2.706 6.807 1.00 0.00 N ATOM 401 CA ARG A 25 0.919 1.824 6.656 1.00 0.00 C ATOM 402 C ARG A 25 0.954 1.099 5.312 1.00 0.00 C ATOM 403 O ARG A 25 0.412 0.017 5.201 1.00 0.00 O ATOM 404 CB ARG A 25 -0.402 2.596 6.772 1.00 0.00 C ATOM 405 CG ARG A 25 -1.173 2.389 8.089 1.00 0.00 C ATOM 406 CD ARG A 25 -1.414 0.907 8.434 1.00 0.00 C ATOM 407 NE ARG A 25 -1.906 0.112 7.293 1.00 0.00 N ATOM 408 CZ ARG A 25 -2.056 -1.208 7.287 1.00 0.00 C ATOM 409 NH1 ARG A 25 -1.786 -1.956 8.326 1.00 0.00 N ATOM 410 NH2 ARG A 25 -2.478 -1.799 6.211 1.00 0.00 N ATOM 0 H ARG A 25 1.862 3.702 6.837 1.00 0.00 H new ATOM 0 HA ARG A 25 0.972 1.096 7.466 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.193 3.660 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.047 2.305 5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.619 2.858 8.902 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.134 2.899 8.022 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.484 0.470 8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.135 0.844 9.249 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.151 0.616 6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.445 -1.529 9.187 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.917 -2.966 8.275 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.692 -1.250 5.378 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.596 -2.812 6.198 1.00 0.00 H new ATOM 424 N ALA A 26 1.594 1.676 4.306 1.00 0.00 N ATOM 425 CA ALA A 26 1.750 1.009 3.015 1.00 0.00 C ATOM 426 C ALA A 26 2.784 -0.112 3.160 1.00 0.00 C ATOM 427 O ALA A 26 2.669 -1.139 2.521 1.00 0.00 O ATOM 428 CB ALA A 26 2.164 2.003 1.924 1.00 0.00 C ATOM 0 H ALA A 26 2.015 2.604 4.355 1.00 0.00 H new ATOM 0 HA ALA A 26 0.794 0.583 2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.272 1.478 0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.401 2.775 1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.114 2.464 2.194 1.00 0.00 H new ATOM 434 N GLU A 27 3.777 0.067 4.017 1.00 0.00 N ATOM 435 CA GLU A 27 4.736 -1.020 4.311 1.00 0.00 C ATOM 436 C GLU A 27 3.957 -2.176 4.992 1.00 0.00 C ATOM 437 O GLU A 27 4.052 -3.398 4.657 1.00 0.00 O ATOM 438 CB GLU A 27 5.828 -0.458 5.226 1.00 0.00 C ATOM 439 CG GLU A 27 7.039 -1.327 5.435 1.00 0.00 C ATOM 440 CD GLU A 27 8.104 -0.583 6.241 1.00 0.00 C ATOM 441 OE1 GLU A 27 9.308 -0.845 6.034 1.00 0.00 O ATOM 442 OE2 GLU A 27 7.729 0.281 7.078 1.00 0.00 O ATOM 0 H GLU A 27 3.950 0.936 4.522 1.00 0.00 H new ATOM 0 HA GLU A 27 5.208 -1.405 3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.159 0.496 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.384 -0.250 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.752 -2.240 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.449 -1.627 4.470 1.00 0.00 H new ATOM 449 N GLN A 28 3.128 -1.765 5.935 1.00 0.00 N ATOM 450 CA GLN A 28 2.251 -2.692 6.612 1.00 0.00 C ATOM 451 C GLN A 28 1.242 -3.257 5.617 1.00 0.00 C ATOM 452 O GLN A 28 0.676 -4.280 5.879 1.00 0.00 O ATOM 453 CB GLN A 28 1.529 -2.023 7.780 1.00 0.00 C ATOM 454 CG GLN A 28 2.442 -1.604 8.928 1.00 0.00 C ATOM 455 CD GLN A 28 1.679 -0.908 10.041 1.00 0.00 C ATOM 456 OE1 GLN A 28 0.494 -1.148 10.248 1.00 0.00 O ATOM 457 NE2 GLN A 28 2.344 -0.043 10.753 1.00 0.00 N ATOM 0 H GLN A 28 3.047 -0.797 6.246 1.00 0.00 H new ATOM 0 HA GLN A 28 2.854 -3.504 7.019 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.003 -1.143 7.410 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.773 -2.708 8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.945 -2.483 9.329 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.217 -0.938 8.549 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.329 0.132 10.554 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.880 0.459 11.510 1.00 0.00 H new ATOM 466 N SER A 29 1.024 -2.620 4.472 1.00 0.00 N ATOM 467 CA SER A 29 0.135 -3.197 3.463 1.00 0.00 C ATOM 468 C SER A 29 0.874 -4.314 2.731 1.00 0.00 C ATOM 469 O SER A 29 0.275 -5.331 2.480 1.00 0.00 O ATOM 470 CB SER A 29 -0.428 -2.161 2.479 1.00 0.00 C ATOM 471 OG SER A 29 0.462 -1.895 1.414 1.00 0.00 O ATOM 0 H SER A 29 1.439 -1.723 4.220 1.00 0.00 H new ATOM 0 HA SER A 29 -0.735 -3.602 3.980 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.375 -2.522 2.077 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.640 -1.234 3.012 1.00 0.00 H new ATOM 0 HG SER A 29 1.343 -1.662 1.774 1.00 0.00 H new ATOM 477 N LEU A 30 2.171 -4.156 2.433 1.00 0.00 N ATOM 478 CA LEU A 30 2.972 -5.261 1.852 1.00 0.00 C ATOM 479 C LEU A 30 2.750 -6.390 2.847 1.00 0.00 C ATOM 480 O LEU A 30 2.293 -7.510 2.510 1.00 0.00 O ATOM 481 CB LEU A 30 4.494 -4.973 1.830 1.00 0.00 C ATOM 482 CG LEU A 30 5.155 -4.140 0.724 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.066 -2.657 0.910 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.645 -4.526 0.661 1.00 0.00 C ATOM 0 H LEU A 30 2.689 -3.290 2.579 1.00 0.00 H new ATOM 0 HA LEU A 30 2.675 -5.450 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.734 -4.485 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.996 -5.941 1.835 1.00 0.00 H new ATOM 0 HG LEU A 30 4.611 -4.365 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.561 -2.156 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.019 -2.357 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.553 -2.378 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.138 -3.946 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.116 -4.316 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.736 -5.589 0.436 1.00 0.00 H new ATOM 496 N HIS A 31 3.077 -6.098 4.099 1.00 0.00 N ATOM 497 CA HIS A 31 3.036 -7.172 5.084 1.00 0.00 C ATOM 498 C HIS A 31 1.647 -7.749 5.427 1.00 0.00 C ATOM 499 O HIS A 31 1.528 -8.956 5.625 1.00 0.00 O ATOM 500 CB HIS A 31 3.874 -6.791 6.282 1.00 0.00 C ATOM 501 CG HIS A 31 5.321 -6.604 5.926 1.00 0.00 C ATOM 502 ND1 HIS A 31 5.926 -7.156 4.809 1.00 0.00 N ATOM 503 CD2 HIS A 31 6.304 -5.892 6.542 1.00 0.00 C ATOM 504 CE1 HIS A 31 7.198 -6.776 4.802 1.00 0.00 C ATOM 505 NE2 HIS A 31 7.486 -6.010 5.834 1.00 0.00 N ATOM 0 H HIS A 31 3.359 -5.181 4.445 1.00 0.00 H new ATOM 0 HA HIS A 31 3.485 -8.041 4.604 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.486 -5.869 6.716 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.786 -7.564 7.045 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.179 -5.320 7.449 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.911 -7.061 4.042 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.388 -5.593 6.062 1.00 0.00 H new ATOM 513 N ASP A 32 0.602 -6.937 5.451 1.00 0.00 N ATOM 514 CA ASP A 32 -0.763 -7.442 5.662 1.00 0.00 C ATOM 515 C ASP A 32 -1.156 -8.321 4.484 1.00 0.00 C ATOM 516 O ASP A 32 -1.861 -9.316 4.646 1.00 0.00 O ATOM 517 CB ASP A 32 -1.794 -6.303 5.731 1.00 0.00 C ATOM 518 CG ASP A 32 -1.829 -5.605 7.084 1.00 0.00 C ATOM 519 OD1 ASP A 32 -1.295 -6.135 8.077 1.00 0.00 O ATOM 520 OD2 ASP A 32 -2.425 -4.500 7.146 1.00 0.00 O ATOM 0 H ASP A 32 0.663 -5.926 5.328 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.762 -7.989 6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.568 -5.570 4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.783 -6.704 5.511 1.00 0.00 H new ATOM 525 N LEU A 33 -0.709 -7.946 3.293 1.00 0.00 N ATOM 526 CA LEU A 33 -1.033 -8.706 2.091 1.00 0.00 C ATOM 527 C LEU A 33 -0.364 -10.068 2.180 1.00 0.00 C ATOM 528 O LEU A 33 -1.040 -11.096 1.991 1.00 0.00 O ATOM 529 CB LEU A 33 -0.585 -7.967 0.818 1.00 0.00 C ATOM 530 CG LEU A 33 -1.533 -6.942 0.155 1.00 0.00 C ATOM 531 CD1 LEU A 33 -2.516 -6.239 1.131 1.00 0.00 C ATOM 532 CD2 LEU A 33 -0.708 -5.882 -0.599 1.00 0.00 C ATOM 0 H LEU A 33 -0.125 -7.126 3.133 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.115 -8.825 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.344 -7.447 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.347 -8.723 0.069 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.155 -7.518 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.140 -5.538 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.148 -6.986 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.951 -5.699 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.380 -5.161 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.052 -5.366 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.107 -6.368 -1.368 1.00 0.00 H new ATOM 544 N GLN A 34 0.935 -10.121 2.484 1.00 0.00 N ATOM 545 CA GLN A 34 1.544 -11.463 2.601 1.00 0.00 C ATOM 546 C GLN A 34 0.964 -12.243 3.777 1.00 0.00 C ATOM 547 O GLN A 34 0.786 -13.446 3.661 1.00 0.00 O ATOM 548 CB GLN A 34 3.079 -11.506 2.701 1.00 0.00 C ATOM 549 CG GLN A 34 3.765 -10.303 3.275 1.00 0.00 C ATOM 550 CD GLN A 34 4.355 -9.368 2.228 1.00 0.00 C ATOM 551 OE1 GLN A 34 3.870 -9.438 0.992 1.00 0.00 O flip ATOM 552 NE2 GLN A 34 5.250 -8.571 2.550 1.00 0.00 N flip ATOM 0 H GLN A 34 1.551 -9.324 2.644 1.00 0.00 H new ATOM 0 HA GLN A 34 1.286 -11.927 1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.353 -12.371 3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.477 -11.676 1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.052 -9.747 3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.562 -10.635 3.941 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.593 -8.550 3.510 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.642 -7.936 1.854 1.00 0.00 H new ATOM 561 N GLU A 35 0.656 -11.595 4.893 1.00 0.00 N ATOM 562 CA GLU A 35 0.078 -12.319 6.032 1.00 0.00 C ATOM 563 C GLU A 35 -1.282 -12.911 5.673 1.00 0.00 C ATOM 564 O GLU A 35 -1.568 -14.066 5.991 1.00 0.00 O ATOM 565 CB GLU A 35 -0.078 -11.402 7.246 1.00 0.00 C ATOM 566 CG GLU A 35 1.161 -11.352 8.128 1.00 0.00 C ATOM 567 CD GLU A 35 1.473 -12.710 8.748 1.00 0.00 C ATOM 568 OE1 GLU A 35 0.613 -13.246 9.485 1.00 0.00 O ATOM 569 OE2 GLU A 35 2.572 -13.249 8.490 1.00 0.00 O ATOM 0 H GLU A 35 0.790 -10.594 5.039 1.00 0.00 H new ATOM 0 HA GLU A 35 0.766 -13.127 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.312 -10.394 6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.926 -11.741 7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.014 -11.018 7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.014 -10.617 8.919 1.00 0.00 H new ATOM 576 N ARG A 36 -2.128 -12.142 5.001 1.00 0.00 N ATOM 577 CA ARG A 36 -3.445 -12.645 4.612 1.00 0.00 C ATOM 578 C ARG A 36 -3.291 -13.790 3.614 1.00 0.00 C ATOM 579 O ARG A 36 -4.030 -14.766 3.683 1.00 0.00 O ATOM 580 CB ARG A 36 -4.316 -11.514 4.046 1.00 0.00 C ATOM 581 CG ARG A 36 -5.768 -11.930 3.761 1.00 0.00 C ATOM 582 CD ARG A 36 -6.637 -10.715 3.431 1.00 0.00 C ATOM 583 NE ARG A 36 -7.993 -11.099 2.994 1.00 0.00 N ATOM 584 CZ ARG A 36 -8.920 -10.258 2.541 1.00 0.00 C ATOM 585 NH1 ARG A 36 -8.709 -8.969 2.440 1.00 0.00 N ATOM 586 NH2 ARG A 36 -10.083 -10.724 2.183 1.00 0.00 N ATOM 0 H ARG A 36 -1.934 -11.182 4.716 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.953 -13.031 5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.318 -10.683 4.751 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.865 -11.148 3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.791 -12.634 2.929 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.177 -12.449 4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.709 -10.073 4.309 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.157 -10.130 2.647 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.240 -12.088 3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.808 -8.577 2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.446 -8.358 2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.275 -11.723 2.251 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.801 -10.089 1.834 1.00 0.00 H new ATOM 600 N LEU A 37 -2.328 -13.692 2.708 1.00 0.00 N ATOM 601 CA LEU A 37 -2.064 -14.780 1.754 1.00 0.00 C ATOM 602 C LEU A 37 -1.553 -16.038 2.476 1.00 0.00 C ATOM 603 O LEU A 37 -2.025 -17.172 2.229 1.00 0.00 O ATOM 604 CB LEU A 37 -1.016 -14.316 0.735 1.00 0.00 C ATOM 605 CG LEU A 37 -0.514 -15.353 -0.283 1.00 0.00 C ATOM 606 CD1 LEU A 37 -1.638 -15.918 -1.146 1.00 0.00 C ATOM 607 CD2 LEU A 37 0.546 -14.697 -1.156 1.00 0.00 C ATOM 0 H LEU A 37 -1.717 -12.881 2.607 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.997 -15.030 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.433 -13.475 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.154 -13.939 1.286 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.093 -16.196 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.228 -16.645 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.376 -16.405 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.114 -15.108 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.914 -15.419 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.111 -13.844 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.373 -14.358 -0.532 1.00 0.00 H new ATOM 619 N HIS A 38 -0.590 -15.843 3.365 1.00 0.00 N ATOM 620 CA HIS A 38 0.001 -16.952 4.097 1.00 0.00 C ATOM 621 C HIS A 38 -1.074 -17.627 4.915 1.00 0.00 C ATOM 622 O HIS A 38 -1.130 -18.836 4.953 1.00 0.00 O ATOM 623 CB HIS A 38 1.140 -16.492 5.012 1.00 0.00 C ATOM 624 CG HIS A 38 2.086 -17.594 5.383 1.00 0.00 C ATOM 625 ND1 HIS A 38 1.719 -18.758 6.018 1.00 0.00 N ATOM 626 CD2 HIS A 38 3.427 -17.712 5.184 1.00 0.00 C ATOM 627 CE1 HIS A 38 2.805 -19.510 6.171 1.00 0.00 C ATOM 628 NE2 HIS A 38 3.877 -18.922 5.678 1.00 0.00 N ATOM 0 H HIS A 38 -0.202 -14.928 3.596 1.00 0.00 H new ATOM 0 HA HIS A 38 0.426 -17.650 3.376 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.696 -15.697 4.516 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.716 -16.065 5.921 1.00 0.00 H new ATOM 0 HD1 HIS A 38 0.776 -19.002 6.320 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.049 -16.968 4.709 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.808 -20.482 6.641 1.00 0.00 H new ATOM 636 N LYS A 39 -1.940 -16.857 5.556 1.00 0.00 N ATOM 637 CA LYS A 39 -3.036 -17.438 6.328 1.00 0.00 C ATOM 638 C LYS A 39 -4.022 -18.164 5.418 1.00 0.00 C ATOM 639 O LYS A 39 -4.509 -19.236 5.762 1.00 0.00 O ATOM 640 CB LYS A 39 -3.753 -16.350 7.125 1.00 0.00 C ATOM 641 CG LYS A 39 -4.759 -16.911 8.108 1.00 0.00 C ATOM 642 CD LYS A 39 -5.382 -15.822 8.946 1.00 0.00 C ATOM 643 CE LYS A 39 -6.325 -16.442 9.955 1.00 0.00 C ATOM 644 NZ LYS A 39 -6.958 -15.433 10.847 1.00 0.00 N ATOM 0 H LYS A 39 -1.909 -15.837 5.560 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.616 -18.167 7.021 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.016 -15.756 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.262 -15.676 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.539 -17.445 7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.269 -17.636 8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.606 -15.253 9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.922 -15.122 8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.103 -16.993 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.778 -17.164 10.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.593 -15.912 11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.220 -14.923 11.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.504 -14.758 10.275 1.00 0.00 H new ATOM 658 N ALA A 40 -4.312 -17.595 4.255 1.00 0.00 N ATOM 659 CA ALA A 40 -5.215 -18.239 3.307 1.00 0.00 C ATOM 660 C ALA A 40 -4.609 -19.574 2.868 1.00 0.00 C ATOM 661 O ALA A 40 -5.304 -20.597 2.825 1.00 0.00 O ATOM 662 CB ALA A 40 -5.478 -17.331 2.108 1.00 0.00 C ATOM 0 H ALA A 40 -3.940 -16.697 3.946 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.175 -18.426 3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.154 -17.831 1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.932 -16.400 2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.537 -17.112 1.604 1.00 0.00 H new ATOM 668 N GLN A 41 -3.317 -19.601 2.569 1.00 0.00 N ATOM 669 CA GLN A 41 -2.711 -20.896 2.279 1.00 0.00 C ATOM 670 C GLN A 41 -2.748 -21.805 3.531 1.00 0.00 C ATOM 671 O GLN A 41 -3.344 -22.882 3.516 1.00 0.00 O ATOM 672 CB GLN A 41 -1.254 -20.708 1.838 1.00 0.00 C ATOM 673 CG GLN A 41 -1.097 -19.994 0.499 1.00 0.00 C ATOM 674 CD GLN A 41 0.353 -19.689 0.187 1.00 0.00 C ATOM 675 OE1 GLN A 41 0.991 -20.370 -0.602 1.00 0.00 O ATOM 676 NE2 GLN A 41 0.879 -18.667 0.806 1.00 0.00 N ATOM 0 H GLN A 41 -2.697 -18.793 2.521 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.280 -21.367 1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.724 -20.142 2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.775 -21.685 1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.516 -20.614 -0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.668 -19.066 0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.316 -18.121 1.458 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.853 -18.415 0.637 1.00 0.00 H new ATOM 685 N GLU A 42 -2.138 -21.353 4.617 1.00 0.00 N ATOM 686 CA GLU A 42 -1.958 -22.171 5.820 1.00 0.00 C ATOM 687 C GLU A 42 -3.243 -22.800 6.319 1.00 0.00 C ATOM 688 O GLU A 42 -3.257 -23.979 6.662 1.00 0.00 O ATOM 689 CB GLU A 42 -1.321 -21.335 6.937 1.00 0.00 C ATOM 690 CG GLU A 42 -0.789 -22.160 8.106 1.00 0.00 C ATOM 691 CD GLU A 42 0.417 -23.005 7.711 1.00 0.00 C ATOM 692 OE1 GLU A 42 0.351 -24.248 7.843 1.00 0.00 O ATOM 693 OE2 GLU A 42 1.429 -22.425 7.259 1.00 0.00 O ATOM 0 H GLU A 42 -1.753 -20.412 4.695 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.297 -22.990 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.503 -20.750 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.060 -20.627 7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.512 -21.494 8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.580 -22.810 8.480 1.00 0.00 H new ATOM 700 N GLU A 43 -4.330 -22.047 6.357 1.00 0.00 N ATOM 701 CA GLU A 43 -5.582 -22.626 6.807 1.00 0.00 C ATOM 702 C GLU A 43 -6.373 -23.258 5.668 1.00 0.00 C ATOM 703 O GLU A 43 -6.904 -24.356 5.821 1.00 0.00 O ATOM 704 CB GLU A 43 -6.489 -21.529 7.383 1.00 0.00 C ATOM 705 CG GLU A 43 -5.983 -20.817 8.627 1.00 0.00 C ATOM 706 CD GLU A 43 -6.980 -19.758 9.122 1.00 0.00 C ATOM 707 OE1 GLU A 43 -6.977 -19.460 10.337 1.00 0.00 O ATOM 708 OE2 GLU A 43 -7.764 -19.211 8.299 1.00 0.00 O ATOM 0 H GLU A 43 -4.372 -21.063 6.090 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.315 -23.382 7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.657 -20.782 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.457 -21.973 7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.806 -21.547 9.417 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.026 -20.342 8.411 1.00 0.00 H new ATOM 715 N HIS A 44 -6.500 -22.549 4.550 1.00 0.00 N ATOM 716 CA HIS A 44 -7.392 -23.013 3.475 1.00 0.00 C ATOM 717 C HIS A 44 -6.798 -23.690 2.268 1.00 0.00 C ATOM 718 O HIS A 44 -7.392 -24.640 1.774 1.00 0.00 O ATOM 719 CB HIS A 44 -8.299 -21.857 3.054 1.00 0.00 C ATOM 720 CG HIS A 44 -8.957 -21.193 4.221 1.00 0.00 C ATOM 721 ND1 HIS A 44 -10.108 -21.685 4.840 1.00 0.00 N ATOM 722 CD2 HIS A 44 -8.614 -20.097 4.948 1.00 0.00 C ATOM 723 CE1 HIS A 44 -10.396 -20.910 5.879 1.00 0.00 C ATOM 724 NE2 HIS A 44 -9.505 -19.957 5.963 1.00 0.00 N ATOM 0 H HIS A 44 -6.014 -21.673 4.360 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.933 -23.840 3.936 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -7.713 -21.121 2.504 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.064 -22.229 2.372 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -10.639 -22.504 4.543 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.774 -19.447 4.751 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.233 -21.045 6.548 1.00 0.00 H new ATOM 732 N ARG A 45 -5.635 -23.205 1.814 1.00 0.00 N ATOM 733 CA ARG A 45 -4.943 -23.704 0.587 1.00 0.00 C ATOM 734 C ARG A 45 -5.934 -24.258 -0.445 1.00 0.00 C ATOM 735 O ARG A 45 -5.844 -25.404 -0.873 1.00 0.00 O ATOM 736 CB ARG A 45 -3.846 -24.737 0.936 1.00 0.00 C ATOM 737 CG ARG A 45 -4.320 -26.003 1.665 1.00 0.00 C ATOM 738 CD ARG A 45 -3.285 -26.519 2.650 1.00 0.00 C ATOM 739 NE ARG A 45 -3.611 -26.121 4.032 1.00 0.00 N ATOM 740 CZ ARG A 45 -4.526 -26.701 4.804 1.00 0.00 C ATOM 741 NH1 ARG A 45 -5.279 -27.690 4.385 1.00 0.00 N ATOM 742 NH2 ARG A 45 -4.689 -26.282 6.018 1.00 0.00 N ATOM 0 H ARG A 45 -5.133 -22.450 2.281 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.451 -22.848 0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.351 -25.037 0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.095 -24.245 1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.248 -25.789 2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.542 -26.780 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.230 -27.606 2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.301 -26.134 2.381 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.093 -25.337 4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.175 -28.043 3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.969 -28.106 5.011 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.119 -25.515 6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.388 -26.719 6.619 1.00 0.00 H new ATOM 756 N THR A 46 -6.903 -23.425 -0.801 1.00 0.00 N ATOM 757 CA THR A 46 -8.033 -23.846 -1.631 1.00 0.00 C ATOM 758 C THR A 46 -7.628 -23.961 -3.118 1.00 0.00 C ATOM 759 O THR A 46 -6.627 -24.592 -3.436 1.00 0.00 O ATOM 760 CB THR A 46 -9.249 -22.899 -1.337 1.00 0.00 C ATOM 761 OG1 THR A 46 -10.370 -23.250 -2.143 1.00 0.00 O ATOM 762 CG2 THR A 46 -8.922 -21.417 -1.542 1.00 0.00 C ATOM 0 H THR A 46 -6.932 -22.443 -0.526 1.00 0.00 H new ATOM 0 HA THR A 46 -8.353 -24.856 -1.374 1.00 0.00 H new ATOM 0 HB THR A 46 -9.489 -23.039 -0.283 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.181 -22.849 -1.768 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.804 -20.816 -1.322 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.111 -21.128 -0.874 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.618 -21.251 -2.576 1.00 0.00 H new ATOM 770 N VAL A 47 -8.361 -23.347 -4.039 1.00 0.00 N ATOM 771 CA VAL A 47 -7.985 -23.349 -5.462 1.00 0.00 C ATOM 772 C VAL A 47 -6.618 -22.676 -5.634 1.00 0.00 C ATOM 773 O VAL A 47 -5.969 -22.791 -6.675 1.00 0.00 O ATOM 774 CB VAL A 47 -9.053 -22.626 -6.333 1.00 0.00 C ATOM 775 CG1 VAL A 47 -10.362 -23.418 -6.320 1.00 0.00 C ATOM 776 CG2 VAL A 47 -9.302 -21.182 -5.839 1.00 0.00 C ATOM 0 H VAL A 47 -9.221 -22.839 -3.833 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.928 -24.384 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.673 -22.570 -7.353 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.104 -22.905 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.187 -24.416 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.729 -23.498 -5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.053 -20.706 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.656 -21.206 -4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.373 -20.615 -5.891 1.00 0.00 H new ATOM 786 N GLU A 48 -6.194 -22.001 -4.578 1.00 0.00 N ATOM 787 CA GLU A 48 -4.898 -21.362 -4.475 1.00 0.00 C ATOM 788 C GLU A 48 -3.754 -22.356 -4.614 1.00 0.00 C ATOM 789 O GLU A 48 -2.717 -22.010 -5.141 1.00 0.00 O ATOM 790 CB GLU A 48 -4.783 -20.738 -3.085 1.00 0.00 C ATOM 791 CG GLU A 48 -5.802 -19.667 -2.808 1.00 0.00 C ATOM 792 CD GLU A 48 -5.838 -19.286 -1.342 1.00 0.00 C ATOM 793 OE1 GLU A 48 -5.833 -18.075 -1.043 1.00 0.00 O ATOM 794 OE2 GLU A 48 -5.883 -20.203 -0.485 1.00 0.00 O ATOM 0 H GLU A 48 -6.765 -21.880 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.825 -20.627 -5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.884 -21.523 -2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.785 -20.314 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.574 -18.785 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.788 -20.015 -3.117 1.00 0.00 H new ATOM 801 N VAL A 49 -3.922 -23.585 -4.142 1.00 0.00 N ATOM 802 CA VAL A 49 -2.817 -24.554 -4.151 1.00 0.00 C ATOM 803 C VAL A 49 -2.329 -24.842 -5.581 1.00 0.00 C ATOM 804 O VAL A 49 -1.176 -25.200 -5.796 1.00 0.00 O ATOM 805 CB VAL A 49 -3.217 -25.869 -3.389 1.00 0.00 C ATOM 806 CG1 VAL A 49 -4.159 -26.756 -4.218 1.00 0.00 C ATOM 807 CG2 VAL A 49 -1.971 -26.663 -2.976 1.00 0.00 C ATOM 0 H VAL A 49 -4.796 -23.937 -3.752 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.977 -24.110 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.756 -25.563 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.408 -27.653 -3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.072 -26.205 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.667 -27.040 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.274 -27.568 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.401 -26.933 -3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.352 -26.052 -2.319 1.00 0.00 H new ATOM 817 N GLU A 50 -3.206 -24.656 -6.558 1.00 0.00 N ATOM 818 CA GLU A 50 -2.858 -24.876 -7.961 1.00 0.00 C ATOM 819 C GLU A 50 -2.492 -23.567 -8.662 1.00 0.00 C ATOM 820 O GLU A 50 -2.083 -23.571 -9.820 1.00 0.00 O ATOM 821 CB GLU A 50 -4.072 -25.439 -8.708 1.00 0.00 C ATOM 822 CG GLU A 50 -4.660 -26.721 -8.151 1.00 0.00 C ATOM 823 CD GLU A 50 -5.877 -27.160 -8.956 1.00 0.00 C ATOM 824 OE1 GLU A 50 -5.951 -28.339 -9.352 1.00 0.00 O ATOM 825 OE2 GLU A 50 -6.764 -26.303 -9.201 1.00 0.00 O ATOM 0 H GLU A 50 -4.168 -24.352 -6.407 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.010 -25.561 -7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.853 -24.678 -8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.786 -25.614 -9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.906 -27.508 -8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.943 -26.572 -7.109 1.00 0.00 H new ATOM 832 N LYS A 51 -2.698 -22.441 -7.983 1.00 0.00 N ATOM 833 CA LYS A 51 -2.625 -21.126 -8.642 1.00 0.00 C ATOM 834 C LYS A 51 -1.862 -20.017 -7.921 1.00 0.00 C ATOM 835 O LYS A 51 -1.822 -18.901 -8.428 1.00 0.00 O ATOM 836 CB LYS A 51 -4.065 -20.626 -8.869 1.00 0.00 C ATOM 837 CG LYS A 51 -4.936 -21.588 -9.684 1.00 0.00 C ATOM 838 CD LYS A 51 -6.401 -21.180 -9.675 1.00 0.00 C ATOM 839 CE LYS A 51 -7.278 -22.289 -10.275 1.00 0.00 C ATOM 840 NZ LYS A 51 -7.224 -23.549 -9.447 1.00 0.00 N ATOM 0 H LYS A 51 -2.915 -22.405 -6.987 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.054 -21.312 -9.552 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.537 -20.456 -7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.029 -19.664 -9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.575 -21.620 -10.712 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.838 -22.596 -9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.719 -20.971 -8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.531 -20.259 -10.244 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.309 -21.942 -10.343 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.947 -22.506 -11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.692 -24.280 -9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.752 -23.350 -8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.191 -23.888 -9.267 1.00 0.00 H new ATOM 854 N VAL A 52 -1.273 -20.284 -6.761 1.00 0.00 N ATOM 855 CA VAL A 52 -0.592 -19.221 -6.008 1.00 0.00 C ATOM 856 C VAL A 52 0.514 -18.541 -6.799 1.00 0.00 C ATOM 857 O VAL A 52 0.535 -17.321 -6.855 1.00 0.00 O ATOM 858 CB VAL A 52 0.027 -19.697 -4.641 1.00 0.00 C ATOM 859 CG1 VAL A 52 -0.988 -19.533 -3.504 1.00 0.00 C ATOM 860 CG2 VAL A 52 0.534 -21.161 -4.704 1.00 0.00 C ATOM 0 H VAL A 52 -1.249 -21.205 -6.323 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.396 -18.513 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 52 0.891 -19.063 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.542 -19.867 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.271 -18.484 -3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.874 -20.131 -3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.952 -21.443 -3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.297 -21.824 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.304 -21.247 -5.471 1.00 0.00 H new ATOM 870 N HIS A 53 1.423 -19.321 -7.390 1.00 0.00 N ATOM 871 CA HIS A 53 2.595 -18.768 -8.095 1.00 0.00 C ATOM 872 C HIS A 53 3.236 -17.763 -7.140 1.00 0.00 C ATOM 873 O HIS A 53 3.432 -16.603 -7.482 1.00 0.00 O ATOM 874 CB HIS A 53 2.194 -18.093 -9.417 1.00 0.00 C ATOM 875 CG HIS A 53 1.545 -19.022 -10.394 1.00 0.00 C ATOM 876 ND1 HIS A 53 0.194 -19.253 -10.463 1.00 0.00 N ATOM 877 CD2 HIS A 53 2.085 -19.791 -11.379 1.00 0.00 C ATOM 878 CE1 HIS A 53 -0.029 -20.123 -11.442 1.00 0.00 C ATOM 879 NE2 HIS A 53 1.089 -20.480 -12.040 1.00 0.00 N ATOM 0 H HIS A 53 1.374 -20.340 -7.397 1.00 0.00 H new ATOM 0 HA HIS A 53 3.293 -19.561 -8.362 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.511 -17.271 -9.202 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.082 -17.659 -9.877 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -0.516 -18.830 -9.866 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.138 -19.853 -11.609 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.007 -20.492 -11.714 1.00 0.00 H new ATOM 887 N LEU A 54 3.514 -18.230 -5.927 1.00 0.00 N ATOM 888 CA LEU A 54 3.916 -17.386 -4.799 1.00 0.00 C ATOM 889 C LEU A 54 4.871 -16.230 -5.100 1.00 0.00 C ATOM 890 O LEU A 54 4.651 -15.124 -4.631 1.00 0.00 O ATOM 891 CB LEU A 54 4.517 -18.282 -3.708 1.00 0.00 C ATOM 892 CG LEU A 54 4.765 -17.631 -2.336 1.00 0.00 C ATOM 893 CD1 LEU A 54 3.459 -17.174 -1.681 1.00 0.00 C ATOM 894 CD2 LEU A 54 5.472 -18.628 -1.424 1.00 0.00 C ATOM 0 H LEU A 54 3.467 -19.222 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 54 3.000 -16.887 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.853 -19.135 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.466 -18.674 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 54 5.388 -16.750 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.676 -16.720 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.966 -16.444 -2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.803 -18.033 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.649 -18.169 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.848 -19.513 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.425 -18.915 -1.868 1.00 0.00 H new ATOM 906 N GLU A 55 5.918 -16.455 -5.877 1.00 0.00 N ATOM 907 CA GLU A 55 6.870 -15.387 -6.172 1.00 0.00 C ATOM 908 C GLU A 55 6.175 -14.265 -6.938 1.00 0.00 C ATOM 909 O GLU A 55 6.293 -13.089 -6.593 1.00 0.00 O ATOM 910 CB GLU A 55 8.042 -15.907 -7.018 1.00 0.00 C ATOM 911 CG GLU A 55 8.819 -17.069 -6.395 1.00 0.00 C ATOM 912 CD GLU A 55 8.141 -18.430 -6.591 1.00 0.00 C ATOM 913 OE1 GLU A 55 7.118 -18.510 -7.319 1.00 0.00 O ATOM 914 OE2 GLU A 55 8.626 -19.413 -6.009 1.00 0.00 O ATOM 0 H GLU A 55 6.132 -17.353 -6.311 1.00 0.00 H new ATOM 0 HA GLU A 55 7.254 -15.014 -5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.659 -16.224 -7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.733 -15.084 -7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.818 -17.103 -6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.942 -16.883 -5.328 1.00 0.00 H new ATOM 921 N LYS A 56 5.438 -14.643 -7.974 1.00 0.00 N ATOM 922 CA LYS A 56 4.712 -13.685 -8.807 1.00 0.00 C ATOM 923 C LYS A 56 3.681 -12.976 -7.959 1.00 0.00 C ATOM 924 O LYS A 56 3.538 -11.770 -8.052 1.00 0.00 O ATOM 925 CB LYS A 56 3.990 -14.407 -9.951 1.00 0.00 C ATOM 926 CG LYS A 56 4.775 -14.504 -11.247 1.00 0.00 C ATOM 927 CD LYS A 56 4.596 -13.240 -12.082 1.00 0.00 C ATOM 928 CE LYS A 56 5.183 -13.417 -13.476 1.00 0.00 C ATOM 929 NZ LYS A 56 4.913 -12.206 -14.329 1.00 0.00 N ATOM 0 H LYS A 56 5.325 -15.615 -8.262 1.00 0.00 H new ATOM 0 HA LYS A 56 5.424 -12.973 -9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.736 -15.415 -9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.051 -13.891 -10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.832 -14.654 -11.027 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.441 -15.372 -11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.536 -12.998 -12.158 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.080 -12.400 -11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.258 -13.584 -13.404 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.754 -14.302 -13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.322 -12.349 -15.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.886 -12.063 -14.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.344 -11.368 -13.889 1.00 0.00 H new ATOM 943 N LYS A 57 2.976 -13.738 -7.137 1.00 0.00 N ATOM 944 CA LYS A 57 1.928 -13.195 -6.278 1.00 0.00 C ATOM 945 C LYS A 57 2.476 -12.130 -5.341 1.00 0.00 C ATOM 946 O LYS A 57 2.005 -10.994 -5.338 1.00 0.00 O ATOM 947 CB LYS A 57 1.310 -14.336 -5.464 1.00 0.00 C ATOM 948 CG LYS A 57 -0.188 -14.233 -5.270 1.00 0.00 C ATOM 949 CD LYS A 57 -0.580 -13.010 -4.461 1.00 0.00 C ATOM 950 CE LYS A 57 -1.987 -13.173 -3.979 1.00 0.00 C ATOM 951 NZ LYS A 57 -2.463 -12.041 -3.119 1.00 0.00 N ATOM 0 H LYS A 57 3.111 -14.745 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 57 1.170 -12.727 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.535 -15.281 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.789 -14.367 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.677 -14.194 -6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.550 -15.130 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.096 -12.887 -3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.493 -12.111 -5.072 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.648 -13.267 -4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.064 -14.103 -3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.319 -12.332 -2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.720 -11.787 -2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.680 -11.218 -3.717 1.00 0.00 H new ATOM 965 N LEU A 58 3.481 -12.503 -4.560 1.00 0.00 N ATOM 966 CA LEU A 58 4.074 -11.589 -3.594 1.00 0.00 C ATOM 967 C LEU A 58 4.615 -10.374 -4.314 1.00 0.00 C ATOM 968 O LEU A 58 4.378 -9.239 -3.910 1.00 0.00 O ATOM 969 CB LEU A 58 5.221 -12.268 -2.835 1.00 0.00 C ATOM 970 CG LEU A 58 4.853 -13.401 -1.863 1.00 0.00 C ATOM 971 CD1 LEU A 58 6.135 -14.087 -1.388 1.00 0.00 C ATOM 972 CD2 LEU A 58 4.081 -12.886 -0.674 1.00 0.00 C ATOM 0 H LEU A 58 3.902 -13.432 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 58 3.303 -11.294 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.921 -12.668 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.753 -11.501 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 58 4.215 -14.111 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.883 -14.892 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.667 -14.498 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.770 -13.360 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.839 -13.716 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.685 -12.155 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.160 -12.414 -1.015 1.00 0.00 H new ATOM 984 N ARG A 59 5.352 -10.601 -5.392 1.00 0.00 N ATOM 985 CA ARG A 59 5.965 -9.482 -6.101 1.00 0.00 C ATOM 986 C ARG A 59 4.926 -8.553 -6.707 1.00 0.00 C ATOM 987 O ARG A 59 5.172 -7.366 -6.776 1.00 0.00 O ATOM 988 CB ARG A 59 6.959 -9.982 -7.147 1.00 0.00 C ATOM 989 CG ARG A 59 8.202 -10.597 -6.489 1.00 0.00 C ATOM 990 CD ARG A 59 9.014 -11.456 -7.444 1.00 0.00 C ATOM 991 NE ARG A 59 9.981 -12.274 -6.690 1.00 0.00 N ATOM 992 CZ ARG A 59 10.769 -13.211 -7.206 1.00 0.00 C ATOM 993 NH1 ARG A 59 10.769 -13.501 -8.483 1.00 0.00 N ATOM 994 NH2 ARG A 59 11.565 -13.877 -6.415 1.00 0.00 N ATOM 0 H ARG A 59 5.538 -11.522 -5.788 1.00 0.00 H new ATOM 0 HA ARG A 59 6.518 -8.892 -5.370 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.477 -10.724 -7.783 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.258 -9.155 -7.792 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.834 -9.798 -6.100 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.894 -11.203 -5.637 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.350 -12.101 -8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.540 -10.822 -8.158 1.00 0.00 H new ATOM 0 HE ARG A 59 10.051 -12.106 -5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.149 -13.000 -9.120 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.389 -14.227 -8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.576 -13.675 -5.415 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.176 -14.599 -6.797 1.00 0.00 H new ATOM 1008 N ASP A 60 3.778 -9.060 -7.132 1.00 0.00 N ATOM 1009 CA ASP A 60 2.741 -8.191 -7.700 1.00 0.00 C ATOM 1010 C ASP A 60 2.007 -7.402 -6.618 1.00 0.00 C ATOM 1011 O ASP A 60 1.818 -6.193 -6.754 1.00 0.00 O ATOM 1012 CB ASP A 60 1.726 -8.996 -8.511 1.00 0.00 C ATOM 1013 CG ASP A 60 0.859 -8.107 -9.392 1.00 0.00 C ATOM 1014 OD1 ASP A 60 1.250 -7.896 -10.561 1.00 0.00 O ATOM 1015 OD2 ASP A 60 -0.195 -7.611 -8.928 1.00 0.00 O ATOM 0 H ASP A 60 3.537 -10.051 -7.099 1.00 0.00 H new ATOM 0 HA ASP A 60 3.252 -7.489 -8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.253 -9.719 -9.134 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.089 -9.564 -7.832 1.00 0.00 H new ATOM 1020 N GLU A 61 1.600 -8.065 -5.540 1.00 0.00 N ATOM 1021 CA GLU A 61 0.862 -7.373 -4.476 1.00 0.00 C ATOM 1022 C GLU A 61 1.761 -6.277 -3.855 1.00 0.00 C ATOM 1023 O GLU A 61 1.325 -5.129 -3.649 1.00 0.00 O ATOM 1024 CB GLU A 61 0.293 -8.385 -3.444 1.00 0.00 C ATOM 1025 CG GLU A 61 1.334 -9.069 -2.558 1.00 0.00 C ATOM 1026 CD GLU A 61 0.792 -10.218 -1.702 1.00 0.00 C ATOM 1027 OE1 GLU A 61 1.500 -10.559 -0.717 1.00 0.00 O ATOM 1028 OE2 GLU A 61 -0.305 -10.787 -1.996 1.00 0.00 O ATOM 0 H GLU A 61 1.761 -9.059 -5.376 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.011 -6.869 -4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.419 -7.864 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.264 -9.153 -3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.134 -9.452 -3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.778 -8.322 -1.900 1.00 0.00 H new ATOM 1035 N ILE A 62 3.024 -6.582 -3.592 1.00 0.00 N ATOM 1036 CA ILE A 62 3.917 -5.546 -3.095 1.00 0.00 C ATOM 1037 C ILE A 62 4.330 -4.526 -4.163 1.00 0.00 C ATOM 1038 O ILE A 62 4.774 -3.443 -3.818 1.00 0.00 O ATOM 1039 CB ILE A 62 5.123 -6.112 -2.342 1.00 0.00 C ATOM 1040 CG1 ILE A 62 6.210 -6.645 -3.279 1.00 0.00 C ATOM 1041 CG2 ILE A 62 4.633 -7.164 -1.299 1.00 0.00 C ATOM 1042 CD1 ILE A 62 7.350 -7.276 -2.503 1.00 0.00 C ATOM 0 H ILE A 62 3.443 -7.505 -3.709 1.00 0.00 H new ATOM 0 HA ILE A 62 3.325 -4.991 -2.367 1.00 0.00 H new ATOM 0 HB ILE A 62 5.610 -5.301 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.779 -7.381 -3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.593 -5.831 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.490 -7.569 -0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.953 -6.687 -0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.113 -7.972 -1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.104 -7.644 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.797 -6.532 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.969 -8.106 -1.908 1.00 0.00 H new ATOM 1054 N ASN A 63 4.172 -4.831 -5.448 1.00 0.00 N ATOM 1055 CA ASN A 63 4.444 -3.823 -6.488 1.00 0.00 C ATOM 1056 C ASN A 63 3.302 -2.819 -6.449 1.00 0.00 C ATOM 1057 O ASN A 63 3.502 -1.625 -6.651 1.00 0.00 O ATOM 1058 CB ASN A 63 4.530 -4.424 -7.895 1.00 0.00 C ATOM 1059 CG ASN A 63 5.935 -4.414 -8.443 1.00 0.00 C ATOM 1060 OD1 ASN A 63 6.420 -3.401 -8.932 1.00 0.00 O ATOM 1061 ND2 ASN A 63 6.600 -5.525 -8.359 1.00 0.00 N ATOM 0 H ASN A 63 3.866 -5.740 -5.796 1.00 0.00 H new ATOM 0 HA ASN A 63 5.412 -3.365 -6.282 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.160 -5.449 -7.872 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.878 -3.865 -8.566 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.558 -5.574 -8.706 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.165 -6.350 -7.946 1.00 0.00 H new ATOM 1068 N LEU A 64 2.107 -3.313 -6.172 1.00 0.00 N ATOM 1069 CA LEU A 64 0.935 -2.462 -6.005 1.00 0.00 C ATOM 1070 C LEU A 64 1.091 -1.648 -4.720 1.00 0.00 C ATOM 1071 O LEU A 64 0.832 -0.441 -4.700 1.00 0.00 O ATOM 1072 CB LEU A 64 -0.304 -3.337 -5.926 1.00 0.00 C ATOM 1073 CG LEU A 64 -1.627 -2.628 -5.646 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -2.294 -2.137 -6.927 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -2.478 -3.632 -4.918 1.00 0.00 C ATOM 0 H LEU A 64 1.920 -4.309 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 64 0.837 -1.780 -6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.400 -3.877 -6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.145 -4.082 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.475 -1.729 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.232 -1.639 -6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.633 -1.435 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.495 -2.986 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.446 -3.188 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.624 -4.510 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.982 -3.927 -3.993 1.00 0.00 H new ATOM 1087 N ALA A 65 1.541 -2.291 -3.648 1.00 0.00 N ATOM 1088 CA ALA A 65 1.810 -1.551 -2.409 1.00 0.00 C ATOM 1089 C ALA A 65 2.889 -0.469 -2.662 1.00 0.00 C ATOM 1090 O ALA A 65 2.852 0.631 -2.101 1.00 0.00 O ATOM 1091 CB ALA A 65 2.247 -2.508 -1.318 1.00 0.00 C ATOM 0 H ALA A 65 1.725 -3.293 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 65 0.897 -1.053 -2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.444 -1.950 -0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.457 -3.237 -1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.154 -3.026 -1.630 1.00 0.00 H new ATOM 1097 N LYS A 66 3.842 -0.773 -3.533 1.00 0.00 N ATOM 1098 CA LYS A 66 4.864 0.202 -3.927 1.00 0.00 C ATOM 1099 C LYS A 66 4.223 1.375 -4.666 1.00 0.00 C ATOM 1100 O LYS A 66 4.717 2.485 -4.576 1.00 0.00 O ATOM 1101 CB LYS A 66 5.954 -0.469 -4.786 1.00 0.00 C ATOM 1102 CG LYS A 66 6.245 0.209 -6.131 1.00 0.00 C ATOM 1103 CD LYS A 66 7.145 -0.639 -6.990 1.00 0.00 C ATOM 1104 CE LYS A 66 7.201 -0.065 -8.397 1.00 0.00 C ATOM 1105 NZ LYS A 66 7.901 -1.001 -9.330 1.00 0.00 N ATOM 0 H LYS A 66 3.933 -1.684 -3.982 1.00 0.00 H new ATOM 0 HA LYS A 66 5.341 0.589 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.878 -0.503 -4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.659 -1.501 -4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.308 0.396 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.712 1.178 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.146 -0.673 -6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.775 -1.664 -7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.190 0.124 -8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.719 0.894 -8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.837 -0.635 -10.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.901 -1.082 -9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.452 -1.938 -9.283 1.00 0.00 H new ATOM 1119 N GLN A 67 3.128 1.146 -5.382 1.00 0.00 N ATOM 1120 CA GLN A 67 2.439 2.233 -6.078 1.00 0.00 C ATOM 1121 C GLN A 67 1.779 3.108 -5.018 1.00 0.00 C ATOM 1122 O GLN A 67 1.913 4.331 -5.055 1.00 0.00 O ATOM 1123 CB GLN A 67 1.399 1.697 -7.069 1.00 0.00 C ATOM 1124 CG GLN A 67 0.792 2.774 -7.958 1.00 0.00 C ATOM 1125 CD GLN A 67 -0.237 2.213 -8.915 1.00 0.00 C ATOM 1126 OE1 GLN A 67 0.004 1.226 -9.594 1.00 0.00 O ATOM 1127 NE2 GLN A 67 -1.380 2.838 -8.978 1.00 0.00 N ATOM 0 H GLN A 67 2.699 0.228 -5.497 1.00 0.00 H new ATOM 0 HA GLN A 67 3.153 2.812 -6.663 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.866 0.939 -7.698 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.601 1.204 -6.514 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.327 3.538 -7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.584 3.264 -8.525 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.545 3.659 -8.396 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.109 2.506 -9.610 1.00 0.00 H new ATOM 1136 N GLU A 68 1.102 2.484 -4.061 1.00 0.00 N ATOM 1137 CA GLU A 68 0.568 3.219 -2.908 1.00 0.00 C ATOM 1138 C GLU A 68 1.695 4.029 -2.219 1.00 0.00 C ATOM 1139 O GLU A 68 1.590 5.259 -2.024 1.00 0.00 O ATOM 1140 CB GLU A 68 -0.060 2.215 -1.929 1.00 0.00 C ATOM 1141 CG GLU A 68 -0.800 2.836 -0.784 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.486 1.800 0.101 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -2.284 0.996 -0.427 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -1.235 1.796 1.324 1.00 0.00 O ATOM 0 H GLU A 68 0.908 1.483 -4.054 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.194 3.924 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.745 1.571 -2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.728 1.575 -1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.105 3.421 -0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.547 3.529 -1.172 1.00 0.00 H new ATOM 1151 N ALA A 69 2.785 3.348 -1.875 1.00 0.00 N ATOM 1152 CA ALA A 69 3.923 4.001 -1.217 1.00 0.00 C ATOM 1153 C ALA A 69 4.505 5.154 -2.056 1.00 0.00 C ATOM 1154 O ALA A 69 4.898 6.187 -1.520 1.00 0.00 O ATOM 1155 CB ALA A 69 5.008 2.965 -0.914 1.00 0.00 C ATOM 0 H ALA A 69 2.908 2.349 -2.038 1.00 0.00 H new ATOM 0 HA ALA A 69 3.559 4.437 -0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.851 3.453 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.603 2.196 -0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.343 2.507 -1.844 1.00 0.00 H new ATOM 1161 N GLN A 70 4.559 4.980 -3.369 1.00 0.00 N ATOM 1162 CA GLN A 70 5.067 6.014 -4.272 1.00 0.00 C ATOM 1163 C GLN A 70 4.166 7.240 -4.223 1.00 0.00 C ATOM 1164 O GLN A 70 4.651 8.367 -4.258 1.00 0.00 O ATOM 1165 CB GLN A 70 5.150 5.472 -5.709 1.00 0.00 C ATOM 1166 CG GLN A 70 5.625 6.481 -6.764 1.00 0.00 C ATOM 1167 CD GLN A 70 7.025 7.013 -6.515 1.00 0.00 C ATOM 1168 OE1 GLN A 70 7.894 6.327 -5.974 1.00 0.00 O ATOM 1169 NE2 GLN A 70 7.254 8.230 -6.915 1.00 0.00 N ATOM 0 H GLN A 70 4.256 4.127 -3.839 1.00 0.00 H new ATOM 0 HA GLN A 70 6.068 6.301 -3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.825 4.616 -5.719 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.166 5.105 -5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.595 6.008 -7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.928 7.318 -6.793 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.511 8.769 -7.359 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.177 8.645 -6.784 1.00 0.00 H new ATOM 1178 N ARG A 71 2.858 7.041 -4.132 1.00 0.00 N ATOM 1179 CA ARG A 71 1.948 8.178 -4.044 1.00 0.00 C ATOM 1180 C ARG A 71 2.101 8.876 -2.710 1.00 0.00 C ATOM 1181 O ARG A 71 2.080 10.096 -2.667 1.00 0.00 O ATOM 1182 CB ARG A 71 0.496 7.753 -4.264 1.00 0.00 C ATOM 1183 CG ARG A 71 0.002 8.097 -5.660 1.00 0.00 C ATOM 1184 CD ARG A 71 -0.298 9.600 -5.807 1.00 0.00 C ATOM 1185 NE ARG A 71 -0.422 9.992 -7.220 1.00 0.00 N ATOM 1186 CZ ARG A 71 0.570 10.419 -7.989 1.00 0.00 C ATOM 1187 NH1 ARG A 71 1.795 10.550 -7.549 1.00 0.00 N ATOM 1188 NH2 ARG A 71 0.315 10.716 -9.228 1.00 0.00 N ATOM 0 H ARG A 71 2.409 6.125 -4.117 1.00 0.00 H new ATOM 0 HA ARG A 71 2.212 8.877 -4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.405 6.679 -4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.140 8.241 -3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.752 7.803 -6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.899 7.524 -5.878 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.221 9.841 -5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.498 10.178 -5.337 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.348 9.930 -7.643 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.016 10.320 -6.580 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.529 10.882 -8.175 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.633 10.619 -9.591 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.063 11.046 -9.838 1.00 0.00 H new ATOM 1202 N LEU A 72 2.279 8.123 -1.634 1.00 0.00 N ATOM 1203 CA LEU A 72 2.482 8.725 -0.312 1.00 0.00 C ATOM 1204 C LEU A 72 3.805 9.527 -0.327 1.00 0.00 C ATOM 1205 O LEU A 72 3.912 10.633 0.231 1.00 0.00 O ATOM 1206 CB LEU A 72 2.440 7.619 0.739 1.00 0.00 C ATOM 1207 CG LEU A 72 0.998 7.060 0.848 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.990 5.619 1.265 1.00 0.00 C ATOM 1209 CD2 LEU A 72 0.158 7.870 1.822 1.00 0.00 C ATOM 0 H LEU A 72 2.288 7.103 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 72 1.692 9.432 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.131 6.820 0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.764 8.008 1.704 1.00 0.00 H new ATOM 0 HG LEU A 72 0.561 7.139 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.039 5.265 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.533 5.025 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.470 5.519 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.846 7.450 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.615 7.838 2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.102 8.904 1.481 1.00 0.00 H new ATOM 1221 N LYS A 73 4.803 8.980 -1.007 1.00 0.00 N ATOM 1222 CA LYS A 73 6.097 9.651 -1.174 1.00 0.00 C ATOM 1223 C LYS A 73 5.983 10.928 -2.008 1.00 0.00 C ATOM 1224 O LYS A 73 6.501 11.963 -1.620 1.00 0.00 O ATOM 1225 CB LYS A 73 7.075 8.699 -1.858 1.00 0.00 C ATOM 1226 CG LYS A 73 8.503 9.223 -1.980 1.00 0.00 C ATOM 1227 CD LYS A 73 9.229 8.529 -3.127 1.00 0.00 C ATOM 1228 CE LYS A 73 9.377 7.025 -2.888 1.00 0.00 C ATOM 1229 NZ LYS A 73 10.029 6.370 -4.061 1.00 0.00 N ATOM 0 H LYS A 73 4.746 8.067 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 73 6.453 9.928 -0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.094 7.761 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.700 8.472 -2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.489 10.300 -2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.040 9.054 -1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.683 8.696 -4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.216 8.974 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.970 6.850 -1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.397 6.580 -2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.351 5.418 -3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.346 6.297 -4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.845 6.938 -4.367 1.00 0.00 H new ATOM 1243 N GLU A 74 5.311 10.866 -3.148 1.00 0.00 N ATOM 1244 CA GLU A 74 5.169 12.053 -3.997 1.00 0.00 C ATOM 1245 C GLU A 74 4.333 13.106 -3.288 1.00 0.00 C ATOM 1246 O GLU A 74 4.549 14.302 -3.462 1.00 0.00 O ATOM 1247 CB GLU A 74 4.535 11.700 -5.340 1.00 0.00 C ATOM 1248 CG GLU A 74 5.564 11.302 -6.380 1.00 0.00 C ATOM 1249 CD GLU A 74 4.935 10.944 -7.717 1.00 0.00 C ATOM 1250 OE1 GLU A 74 4.325 11.825 -8.367 1.00 0.00 O ATOM 1251 OE2 GLU A 74 5.045 9.764 -8.119 1.00 0.00 O ATOM 0 H GLU A 74 4.860 10.025 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 74 6.165 12.452 -4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.828 10.882 -5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.965 12.555 -5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.268 12.122 -6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.136 10.450 -6.012 1.00 0.00 H new ATOM 1258 N LEU A 75 3.394 12.663 -2.465 1.00 0.00 N ATOM 1259 CA LEU A 75 2.602 13.584 -1.666 1.00 0.00 C ATOM 1260 C LEU A 75 3.531 14.269 -0.671 1.00 0.00 C ATOM 1261 O LEU A 75 3.458 15.481 -0.480 1.00 0.00 O ATOM 1262 CB LEU A 75 1.477 12.829 -0.945 1.00 0.00 C ATOM 1263 CG LEU A 75 0.432 13.641 -0.162 1.00 0.00 C ATOM 1264 CD1 LEU A 75 1.001 14.256 1.117 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -0.167 14.726 -1.048 1.00 0.00 C ATOM 0 H LEU A 75 3.163 11.678 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 75 2.134 14.335 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.946 12.236 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.940 12.128 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.350 12.945 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.220 14.818 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.366 13.464 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.823 14.926 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.905 15.293 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.623 15.396 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.648 14.266 -1.911 1.00 0.00 H new ATOM 1277 N ARG A 76 4.420 13.506 -0.043 1.00 0.00 N ATOM 1278 CA ARG A 76 5.393 14.095 0.889 1.00 0.00 C ATOM 1279 C ARG A 76 6.290 15.132 0.191 1.00 0.00 C ATOM 1280 O ARG A 76 6.735 16.101 0.816 1.00 0.00 O ATOM 1281 CB ARG A 76 6.234 12.983 1.537 1.00 0.00 C ATOM 1282 CG ARG A 76 7.385 13.473 2.413 1.00 0.00 C ATOM 1283 CD ARG A 76 6.893 14.366 3.547 1.00 0.00 C ATOM 1284 NE ARG A 76 8.004 14.849 4.382 1.00 0.00 N ATOM 1285 CZ ARG A 76 8.811 15.859 4.077 1.00 0.00 C ATOM 1286 NH1 ARG A 76 8.719 16.526 2.955 1.00 0.00 N ATOM 1287 NH2 ARG A 76 9.741 16.200 4.925 1.00 0.00 N ATOM 0 H ARG A 76 4.492 12.495 -0.155 1.00 0.00 H new ATOM 0 HA ARG A 76 4.844 14.622 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.578 12.357 2.142 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.641 12.350 0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.915 12.616 2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.099 14.023 1.801 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.353 15.217 3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.187 13.812 4.166 1.00 0.00 H new ATOM 0 HE ARG A 76 8.168 14.369 5.267 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.005 16.277 2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.362 17.295 2.765 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.839 15.694 5.805 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.370 16.973 4.708 1.00 0.00 H new ATOM 1301 N GLU A 77 6.549 14.947 -1.092 1.00 0.00 N ATOM 1302 CA GLU A 77 7.348 15.902 -1.870 1.00 0.00 C ATOM 1303 C GLU A 77 6.504 17.127 -2.285 1.00 0.00 C ATOM 1304 O GLU A 77 7.023 18.096 -2.849 1.00 0.00 O ATOM 1305 CB GLU A 77 7.934 15.206 -3.107 1.00 0.00 C ATOM 1306 CG GLU A 77 8.975 14.135 -2.756 1.00 0.00 C ATOM 1307 CD GLU A 77 9.526 13.417 -3.984 1.00 0.00 C ATOM 1308 OE1 GLU A 77 10.100 14.095 -4.864 1.00 0.00 O ATOM 1309 OE2 GLU A 77 9.395 12.171 -4.065 1.00 0.00 O ATOM 0 H GLU A 77 6.220 14.143 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 77 8.165 16.260 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.126 14.746 -3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.394 15.953 -3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.798 14.600 -2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.524 13.403 -2.086 1.00 0.00 H new ATOM 1316 N GLY A 78 5.211 17.079 -1.993 1.00 0.00 N ATOM 1317 CA GLY A 78 4.288 18.159 -2.310 1.00 0.00 C ATOM 1318 C GLY A 78 3.637 18.782 -1.085 1.00 0.00 C ATOM 1319 O GLY A 78 4.163 18.730 0.027 1.00 0.00 O ATOM 0 H GLY A 78 4.771 16.285 -1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.823 18.933 -2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.509 17.778 -2.971 1.00 0.00 H new ATOM 1323 N THR A 79 2.480 19.396 -1.298 1.00 0.00 N ATOM 1324 CA THR A 79 1.715 20.065 -0.239 1.00 0.00 C ATOM 1325 C THR A 79 0.324 20.288 -0.842 1.00 0.00 C ATOM 1326 O THR A 79 0.035 19.728 -1.890 1.00 0.00 O ATOM 1327 CB THR A 79 2.399 21.411 0.210 1.00 0.00 C ATOM 1328 OG1 THR A 79 1.672 21.980 1.304 1.00 0.00 O ATOM 1329 CG2 THR A 79 2.469 22.442 -0.914 1.00 0.00 C ATOM 0 H THR A 79 2.038 19.447 -2.216 1.00 0.00 H new ATOM 0 HA THR A 79 1.663 19.468 0.671 1.00 0.00 H new ATOM 0 HB THR A 79 3.419 21.163 0.503 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.268 21.263 1.836 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.950 23.349 -0.547 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.046 22.036 -1.745 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.461 22.678 -1.254 1.00 0.00 H new ATOM 1337 N GLU A 80 -0.512 21.105 -0.209 1.00 0.00 N ATOM 1338 CA GLU A 80 -1.871 21.432 -0.698 1.00 0.00 C ATOM 1339 C GLU A 80 -1.878 22.191 -2.042 1.00 0.00 C ATOM 1340 O GLU A 80 -2.927 22.598 -2.540 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.596 22.284 0.359 1.00 0.00 C ATOM 1342 CG GLU A 80 -2.031 23.697 0.490 1.00 0.00 C ATOM 1343 CD GLU A 80 -2.524 24.446 1.729 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.679 24.797 2.590 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -3.735 24.708 1.858 1.00 0.00 O ATOM 0 H GLU A 80 -0.274 21.569 0.667 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.380 20.483 -0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.654 22.346 0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.531 21.784 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.943 23.642 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.298 24.269 -0.399 1.00 0.00 H new ATOM 1352 N ASN A 81 -0.706 22.374 -2.633 1.00 0.00 N ATOM 1353 CA ASN A 81 -0.587 23.038 -3.919 1.00 0.00 C ATOM 1354 C ASN A 81 -0.881 22.030 -5.018 1.00 0.00 C ATOM 1355 O ASN A 81 0.023 21.429 -5.593 1.00 0.00 O ATOM 1356 CB ASN A 81 0.810 23.618 -4.122 1.00 0.00 C ATOM 1357 CG ASN A 81 0.902 24.463 -5.366 1.00 0.00 C ATOM 1358 OD1 ASN A 81 0.244 24.205 -6.367 1.00 0.00 O ATOM 1359 ND2 ASN A 81 1.708 25.488 -5.306 1.00 0.00 N ATOM 0 H ASN A 81 0.182 22.068 -2.236 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.299 23.862 -3.952 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.080 24.221 -3.255 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.533 22.805 -4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.807 26.107 -6.111 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.239 25.670 -4.454 1.00 0.00 H new ATOM 1366 N GLU A 82 -2.154 21.861 -5.312 1.00 0.00 N ATOM 1367 CA GLU A 82 -2.576 20.955 -6.363 1.00 0.00 C ATOM 1368 C GLU A 82 -2.564 21.650 -7.744 1.00 0.00 C ATOM 1369 O GLU A 82 -3.360 21.319 -8.625 1.00 0.00 O ATOM 1370 CB GLU A 82 -3.957 20.378 -6.007 1.00 0.00 C ATOM 1371 CG GLU A 82 -4.222 19.008 -6.622 1.00 0.00 C ATOM 1372 CD GLU A 82 -5.348 18.256 -5.944 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -5.095 17.117 -5.483 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -6.475 18.780 -5.877 1.00 0.00 O ATOM 0 H GLU A 82 -2.918 22.341 -4.836 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.869 20.129 -6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.042 20.303 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.729 21.072 -6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.461 19.131 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.312 18.411 -6.569 1.00 0.00 H new ATOM 1381 N ARG A 83 -1.660 22.610 -7.967 1.00 0.00 N ATOM 1382 CA ARG A 83 -1.569 23.203 -9.313 1.00 0.00 C ATOM 1383 C ARG A 83 -1.033 22.101 -10.220 1.00 0.00 C ATOM 1384 O ARG A 83 -0.392 21.171 -9.749 1.00 0.00 O ATOM 1385 CB ARG A 83 -0.655 24.432 -9.374 1.00 0.00 C ATOM 1386 CG ARG A 83 -1.230 25.680 -8.695 1.00 0.00 C ATOM 1387 CD ARG A 83 -0.262 26.858 -8.856 1.00 0.00 C ATOM 1388 NE ARG A 83 -0.604 28.010 -8.005 1.00 0.00 N ATOM 1389 CZ ARG A 83 -1.575 28.888 -8.230 1.00 0.00 C ATOM 1390 NH1 ARG A 83 -2.375 28.814 -9.268 1.00 0.00 N ATOM 1391 NH2 ARG A 83 -1.735 29.865 -7.391 1.00 0.00 N ATOM 0 H ARG A 83 -1.009 22.981 -7.275 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.551 23.561 -9.622 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.298 24.185 -8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.447 24.664 -10.418 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.196 25.930 -9.133 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.402 25.482 -7.637 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.748 26.525 -8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.255 27.174 -9.899 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.043 28.147 -7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.265 28.058 -9.944 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.107 29.512 -9.399 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.122 29.946 -6.580 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.474 30.552 -7.543 1.00 0.00 H new ATOM 1405 N SER A 84 -1.294 22.227 -11.514 1.00 0.00 N ATOM 1406 CA SER A 84 -0.952 21.230 -12.543 1.00 0.00 C ATOM 1407 C SER A 84 0.274 20.319 -12.359 1.00 0.00 C ATOM 1408 O SER A 84 0.205 19.139 -12.673 1.00 0.00 O ATOM 1409 CB SER A 84 -0.815 21.964 -13.872 1.00 0.00 C ATOM 1410 OG SER A 84 -1.588 23.157 -13.837 1.00 0.00 O ATOM 0 H SER A 84 -1.764 23.047 -11.898 1.00 0.00 H new ATOM 0 HA SER A 84 -1.775 20.518 -12.476 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.232 22.202 -14.062 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.150 21.325 -14.689 1.00 0.00 H new ATOM 0 HG SER A 84 -1.499 23.630 -14.691 1.00 0.00 H new ATOM 1416 N ARG A 85 1.390 20.847 -11.868 1.00 0.00 N ATOM 1417 CA ARG A 85 2.604 20.037 -11.690 1.00 0.00 C ATOM 1418 C ARG A 85 2.456 18.951 -10.620 1.00 0.00 C ATOM 1419 O ARG A 85 3.080 17.909 -10.723 1.00 0.00 O ATOM 1420 CB ARG A 85 3.794 20.928 -11.334 1.00 0.00 C ATOM 1421 CG ARG A 85 4.213 21.851 -12.470 1.00 0.00 C ATOM 1422 CD ARG A 85 5.502 22.591 -12.128 1.00 0.00 C ATOM 1423 NE ARG A 85 5.936 23.468 -13.233 1.00 0.00 N ATOM 1424 CZ ARG A 85 6.685 23.092 -14.267 1.00 0.00 C ATOM 1425 NH1 ARG A 85 7.124 21.864 -14.411 1.00 0.00 N ATOM 1426 NH2 ARG A 85 6.996 23.972 -15.177 1.00 0.00 N ATOM 0 H ARG A 85 1.486 21.823 -11.586 1.00 0.00 H new ATOM 0 HA ARG A 85 2.773 19.537 -12.644 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.541 21.529 -10.461 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.640 20.299 -11.054 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.354 21.270 -13.382 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.419 22.570 -12.670 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.352 23.187 -11.228 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.288 21.869 -11.905 1.00 0.00 H new ATOM 0 HE ARG A 85 5.637 24.443 -13.202 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.894 21.155 -13.715 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.696 21.618 -15.219 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.666 24.933 -15.091 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.569 23.699 -15.975 1.00 0.00 H new ATOM 1440 N GLN A 86 1.639 19.204 -9.607 1.00 0.00 N ATOM 1441 CA GLN A 86 1.411 18.247 -8.516 1.00 0.00 C ATOM 1442 C GLN A 86 -0.095 18.139 -8.296 1.00 0.00 C ATOM 1443 O GLN A 86 -0.587 18.083 -7.169 1.00 0.00 O ATOM 1444 CB GLN A 86 2.139 18.686 -7.235 1.00 0.00 C ATOM 1445 CG GLN A 86 3.663 18.630 -7.371 1.00 0.00 C ATOM 1446 CD GLN A 86 4.387 18.953 -6.080 1.00 0.00 C ATOM 1447 OE1 GLN A 86 4.301 20.063 -5.564 1.00 0.00 O ATOM 1448 NE2 GLN A 86 5.110 17.995 -5.561 1.00 0.00 N ATOM 0 H GLN A 86 1.114 20.073 -9.512 1.00 0.00 H new ATOM 0 HA GLN A 86 1.815 17.270 -8.781 1.00 0.00 H new ATOM 0 HB2 GLN A 86 1.838 19.703 -6.982 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.829 18.047 -6.409 1.00 0.00 H new ATOM 0 HG2 GLN A 86 3.956 17.635 -7.705 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.979 19.331 -8.143 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.156 17.085 -6.020 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.628 18.157 -4.697 1.00 0.00 H new ATOM 1457 N LYS A 87 -0.821 18.101 -9.413 1.00 0.00 N ATOM 1458 CA LYS A 87 -2.293 18.027 -9.425 1.00 0.00 C ATOM 1459 C LYS A 87 -2.856 16.727 -8.854 1.00 0.00 C ATOM 1460 O LYS A 87 -4.035 16.430 -9.001 1.00 0.00 O ATOM 1461 CB LYS A 87 -2.809 18.193 -10.861 1.00 0.00 C ATOM 1462 CG LYS A 87 -2.454 17.022 -11.815 1.00 0.00 C ATOM 1463 CD LYS A 87 -3.701 16.221 -12.270 1.00 0.00 C ATOM 1464 CE LYS A 87 -3.644 14.748 -11.826 1.00 0.00 C ATOM 1465 NZ LYS A 87 -4.754 14.408 -10.867 1.00 0.00 N ATOM 0 H LYS A 87 -0.407 18.121 -10.345 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.636 18.835 -8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.893 18.305 -10.833 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.403 19.117 -11.274 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.941 17.416 -12.692 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.758 16.349 -11.314 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.598 16.687 -11.862 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.784 16.268 -13.356 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.710 14.102 -12.701 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.682 14.548 -11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.701 13.400 -10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.657 14.983 -10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.672 14.607 -11.314 1.00 0.00 H new ATOM 1479 N TYR A 88 -1.996 15.950 -8.228 1.00 0.00 N ATOM 1480 CA TYR A 88 -2.334 14.648 -7.712 1.00 0.00 C ATOM 1481 C TYR A 88 -2.206 14.588 -6.192 1.00 0.00 C ATOM 1482 O TYR A 88 -1.986 13.519 -5.640 1.00 0.00 O ATOM 1483 CB TYR A 88 -1.407 13.614 -8.363 1.00 0.00 C ATOM 1484 CG TYR A 88 0.082 13.940 -8.289 1.00 0.00 C ATOM 1485 CD1 TYR A 88 0.818 14.191 -9.467 1.00 0.00 C ATOM 1486 CD2 TYR A 88 0.772 13.982 -7.051 1.00 0.00 C ATOM 1487 CE1 TYR A 88 2.215 14.450 -9.409 1.00 0.00 C ATOM 1488 CE2 TYR A 88 2.155 14.250 -6.997 1.00 0.00 C ATOM 1489 CZ TYR A 88 2.867 14.465 -8.171 1.00 0.00 C ATOM 1490 OH TYR A 88 4.216 14.678 -8.098 1.00 0.00 O ATOM 0 H TYR A 88 -1.025 16.215 -8.063 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.375 14.433 -7.952 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.575 12.648 -7.887 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.688 13.506 -9.411 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.315 14.186 -10.423 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.229 13.806 -6.134 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.770 14.634 -10.317 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.661 14.288 -6.044 1.00 0.00 H new ATOM 0 HH TYR A 88 4.687 13.822 -8.177 1.00 0.00 H new ATOM 1500 N ALA A 89 -2.321 15.712 -5.501 1.00 0.00 N ATOM 1501 CA ALA A 89 -2.140 15.656 -4.055 1.00 0.00 C ATOM 1502 C ALA A 89 -3.223 14.784 -3.373 1.00 0.00 C ATOM 1503 O ALA A 89 -2.905 13.800 -2.721 1.00 0.00 O ATOM 1504 CB ALA A 89 -2.150 17.083 -3.474 1.00 0.00 C ATOM 0 H ALA A 89 -2.528 16.632 -5.891 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.176 15.190 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.015 17.037 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.340 17.662 -3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.103 17.561 -3.700 1.00 0.00 H new ATOM 1510 N GLU A 90 -4.497 15.091 -3.557 1.00 0.00 N ATOM 1511 CA GLU A 90 -5.551 14.291 -2.911 1.00 0.00 C ATOM 1512 C GLU A 90 -5.738 12.979 -3.656 1.00 0.00 C ATOM 1513 O GLU A 90 -6.308 12.006 -3.154 1.00 0.00 O ATOM 1514 CB GLU A 90 -6.843 15.068 -2.704 1.00 0.00 C ATOM 1515 CG GLU A 90 -7.435 14.794 -1.306 1.00 0.00 C ATOM 1516 CD GLU A 90 -6.456 15.156 -0.170 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -6.190 16.361 0.030 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -5.944 14.233 0.519 1.00 0.00 O ATOM 0 H GLU A 90 -4.831 15.865 -4.131 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.224 14.048 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.652 16.135 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.566 14.789 -3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.355 15.367 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.703 13.740 -1.228 1.00 0.00 H new ATOM 1525 N GLU A 91 -5.221 12.956 -4.871 1.00 0.00 N ATOM 1526 CA GLU A 91 -5.132 11.721 -5.632 1.00 0.00 C ATOM 1527 C GLU A 91 -4.289 10.721 -4.812 1.00 0.00 C ATOM 1528 O GLU A 91 -4.392 9.526 -5.047 1.00 0.00 O ATOM 1529 CB GLU A 91 -4.506 11.964 -7.003 1.00 0.00 C ATOM 1530 CG GLU A 91 -4.635 10.830 -8.004 1.00 0.00 C ATOM 1531 CD GLU A 91 -3.692 11.024 -9.178 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -3.994 11.854 -10.066 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -2.631 10.357 -9.213 1.00 0.00 O ATOM 0 H GLU A 91 -4.856 13.778 -5.353 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.130 11.318 -5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.960 12.856 -7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.447 12.180 -6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.418 9.881 -7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.662 10.775 -8.364 1.00 0.00 H new ATOM 1540 N GLU A 92 -3.477 11.178 -3.847 1.00 0.00 N ATOM 1541 CA GLU A 92 -2.788 10.217 -2.965 1.00 0.00 C ATOM 1542 C GLU A 92 -3.849 9.362 -2.284 1.00 0.00 C ATOM 1543 O GLU A 92 -3.786 8.142 -2.330 1.00 0.00 O ATOM 1544 CB GLU A 92 -1.909 10.924 -1.915 1.00 0.00 C ATOM 1545 CG GLU A 92 -1.601 10.116 -0.635 1.00 0.00 C ATOM 1546 CD GLU A 92 -2.719 10.231 0.421 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -3.227 11.358 0.645 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -3.105 9.202 1.014 1.00 0.00 O ATOM 0 H GLU A 92 -3.285 12.162 -3.659 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.119 9.598 -3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.964 11.196 -2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.400 11.853 -1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.460 9.067 -0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.663 10.467 -0.205 1.00 0.00 H new ATOM 1555 N LEU A 93 -4.828 10.011 -1.671 1.00 0.00 N ATOM 1556 CA LEU A 93 -5.872 9.314 -0.933 1.00 0.00 C ATOM 1557 C LEU A 93 -6.659 8.415 -1.863 1.00 0.00 C ATOM 1558 O LEU A 93 -6.991 7.283 -1.514 1.00 0.00 O ATOM 1559 CB LEU A 93 -6.798 10.339 -0.264 1.00 0.00 C ATOM 1560 CG LEU A 93 -7.939 9.785 0.601 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -7.425 8.959 1.786 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -8.787 10.949 1.110 1.00 0.00 C ATOM 0 H LEU A 93 -4.921 11.027 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.415 8.693 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.187 10.992 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.236 10.961 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.537 9.117 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.271 8.590 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.843 8.115 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.796 9.584 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.600 10.565 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.166 11.618 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.201 11.496 0.263 1.00 0.00 H new ATOM 1574 N GLU A 94 -6.955 8.906 -3.056 1.00 0.00 N ATOM 1575 CA GLU A 94 -7.704 8.097 -4.020 1.00 0.00 C ATOM 1576 C GLU A 94 -6.915 6.869 -4.484 1.00 0.00 C ATOM 1577 O GLU A 94 -7.481 5.781 -4.641 1.00 0.00 O ATOM 1578 CB GLU A 94 -8.116 8.943 -5.226 1.00 0.00 C ATOM 1579 CG GLU A 94 -9.175 9.983 -4.880 1.00 0.00 C ATOM 1580 CD GLU A 94 -10.420 9.340 -4.277 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -10.746 9.632 -3.111 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -11.074 8.525 -4.961 1.00 0.00 O ATOM 0 H GLU A 94 -6.698 9.838 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.598 7.739 -3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.237 9.446 -5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.497 8.289 -6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.760 10.704 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.450 10.536 -5.778 1.00 0.00 H new ATOM 1589 N GLN A 95 -5.615 7.014 -4.696 1.00 0.00 N ATOM 1590 CA GLN A 95 -4.808 5.878 -5.118 1.00 0.00 C ATOM 1591 C GLN A 95 -4.568 4.909 -3.977 1.00 0.00 C ATOM 1592 O GLN A 95 -4.527 3.722 -4.219 1.00 0.00 O ATOM 1593 CB GLN A 95 -3.475 6.305 -5.725 1.00 0.00 C ATOM 1594 CG GLN A 95 -3.609 6.770 -7.178 1.00 0.00 C ATOM 1595 CD GLN A 95 -2.333 6.584 -7.980 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -1.675 5.556 -7.897 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -1.984 7.564 -8.766 1.00 0.00 N ATOM 0 H GLN A 95 -5.104 7.890 -4.585 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.383 5.372 -5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.050 7.112 -5.127 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.775 5.471 -5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.417 6.217 -7.658 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.891 7.823 -7.192 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.554 8.408 -8.813 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.141 7.486 -9.334 1.00 0.00 H new ATOM 1606 N VAL A 96 -4.434 5.387 -2.745 1.00 0.00 N ATOM 1607 CA VAL A 96 -4.304 4.482 -1.595 1.00 0.00 C ATOM 1608 C VAL A 96 -5.577 3.650 -1.537 1.00 0.00 C ATOM 1609 O VAL A 96 -5.543 2.421 -1.384 1.00 0.00 O ATOM 1610 CB VAL A 96 -4.131 5.267 -0.246 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -4.260 4.330 0.971 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -2.771 5.972 -0.193 1.00 0.00 C ATOM 0 H VAL A 96 -4.412 6.380 -2.512 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.416 3.862 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.927 6.011 -0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.135 4.906 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.245 3.862 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.492 3.559 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.676 6.508 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.974 5.232 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.694 6.677 -1.020 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.708 4.328 -1.685 1.00 0.00 N ATOM 1623 CA ARG A 97 -8.006 3.667 -1.652 1.00 0.00 C ATOM 1624 C ARG A 97 -8.089 2.567 -2.690 1.00 0.00 C ATOM 1625 O ARG A 97 -8.460 1.458 -2.356 1.00 0.00 O ATOM 1626 CB ARG A 97 -9.126 4.689 -1.863 1.00 0.00 C ATOM 1627 CG ARG A 97 -9.780 5.133 -0.561 1.00 0.00 C ATOM 1628 CD ARG A 97 -10.195 6.612 -0.573 1.00 0.00 C ATOM 1629 NE ARG A 97 -10.963 7.014 -1.765 1.00 0.00 N ATOM 1630 CZ ARG A 97 -12.237 6.736 -2.006 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -12.976 6.035 -1.178 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -12.777 7.173 -3.104 1.00 0.00 N ATOM 0 H ARG A 97 -6.752 5.337 -1.829 1.00 0.00 H new ATOM 0 HA ARG A 97 -8.127 3.209 -0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.722 5.562 -2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -9.885 4.258 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.659 4.516 -0.373 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.088 4.962 0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.791 6.818 0.316 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.299 7.230 -0.506 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.468 7.558 -2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.574 5.681 -0.310 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.952 5.844 -1.403 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -12.222 7.720 -3.763 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -13.756 6.969 -3.307 1.00 0.00 H new ATOM 1646 N GLU A 98 -7.742 2.843 -3.936 1.00 0.00 N ATOM 1647 CA GLU A 98 -7.815 1.801 -4.965 1.00 0.00 C ATOM 1648 C GLU A 98 -6.681 0.768 -4.878 1.00 0.00 C ATOM 1649 O GLU A 98 -6.878 -0.379 -5.267 1.00 0.00 O ATOM 1650 CB GLU A 98 -7.876 2.410 -6.365 1.00 0.00 C ATOM 1651 CG GLU A 98 -9.255 3.005 -6.704 1.00 0.00 C ATOM 1652 CD GLU A 98 -10.397 1.975 -6.601 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -11.422 2.280 -5.944 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -10.284 0.869 -7.179 1.00 0.00 O ATOM 0 H GLU A 98 -7.414 3.753 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.741 1.260 -4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.119 3.190 -6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.627 1.644 -7.099 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.461 3.837 -6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.230 3.412 -7.715 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.517 1.142 -4.360 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.418 0.191 -4.164 1.00 0.00 C ATOM 1663 C ALA A 99 -4.893 -0.836 -3.132 1.00 0.00 C ATOM 1664 O ALA A 99 -4.904 -2.055 -3.384 1.00 0.00 O ATOM 1665 CB ALA A 99 -3.168 0.907 -3.673 1.00 0.00 C ATOM 0 H ALA A 99 -5.305 2.096 -4.067 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.159 -0.297 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.365 0.183 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.862 1.651 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.380 1.400 -2.724 1.00 0.00 H new ATOM 1671 N LEU A 100 -5.314 -0.337 -1.976 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.799 -1.208 -0.913 1.00 0.00 C ATOM 1673 C LEU A 100 -6.979 -2.033 -1.413 1.00 0.00 C ATOM 1674 O LEU A 100 -7.054 -3.227 -1.162 1.00 0.00 O ATOM 1675 CB LEU A 100 -6.209 -0.376 0.305 1.00 0.00 C ATOM 1676 CG LEU A 100 -6.649 -1.167 1.550 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -5.509 -2.031 2.106 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -7.127 -0.190 2.622 1.00 0.00 C ATOM 0 H LEU A 100 -5.330 0.658 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.998 -1.885 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.370 0.262 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.026 0.283 0.011 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.460 -1.836 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.859 -2.574 2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.186 -2.741 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.671 -1.392 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.440 -0.745 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.314 0.486 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.969 0.387 2.239 1.00 0.00 H new ATOM 1690 N ARG A 101 -7.891 -1.401 -2.138 1.00 0.00 N ATOM 1691 CA ARG A 101 -9.061 -2.098 -2.681 1.00 0.00 C ATOM 1692 C ARG A 101 -8.688 -3.191 -3.672 1.00 0.00 C ATOM 1693 O ARG A 101 -9.314 -4.238 -3.683 1.00 0.00 O ATOM 1694 CB ARG A 101 -9.982 -1.089 -3.359 1.00 0.00 C ATOM 1695 CG ARG A 101 -11.365 -1.588 -3.673 1.00 0.00 C ATOM 1696 CD ARG A 101 -12.102 -0.487 -4.397 1.00 0.00 C ATOM 1697 NE ARG A 101 -13.545 -0.740 -4.503 1.00 0.00 N ATOM 1698 CZ ARG A 101 -14.401 0.036 -5.158 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -14.024 1.118 -5.795 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -15.665 -0.286 -5.171 1.00 0.00 N ATOM 0 H ARG A 101 -7.848 -0.408 -2.367 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.567 -2.581 -1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.067 -0.212 -2.717 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.513 -0.761 -4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.316 -2.485 -4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.890 -1.860 -2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.941 0.456 -3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.684 -0.373 -5.397 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.916 -1.570 -4.041 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.041 1.391 -5.799 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.713 1.687 -6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.983 -1.123 -4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.335 0.299 -5.669 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.687 -2.967 -4.515 1.00 0.00 N ATOM 1715 CA LYS A 102 -7.264 -3.995 -5.477 1.00 0.00 C ATOM 1716 C LYS A 102 -6.735 -5.168 -4.687 1.00 0.00 C ATOM 1717 O LYS A 102 -7.091 -6.306 -4.968 1.00 0.00 O ATOM 1718 CB LYS A 102 -6.186 -3.454 -6.443 1.00 0.00 C ATOM 1719 CG LYS A 102 -5.723 -4.424 -7.593 1.00 0.00 C ATOM 1720 CD LYS A 102 -4.773 -5.567 -7.129 1.00 0.00 C ATOM 1721 CE LYS A 102 -3.633 -5.835 -8.139 1.00 0.00 C ATOM 1722 NZ LYS A 102 -2.640 -6.865 -7.637 1.00 0.00 N ATOM 0 H LYS A 102 -7.155 -2.098 -4.558 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.111 -4.299 -6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.565 -2.540 -6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.310 -3.178 -5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.605 -4.867 -8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.219 -3.840 -8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.343 -5.308 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.351 -6.480 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.060 -6.177 -9.082 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.109 -4.902 -8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.791 -6.850 -8.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.375 -6.643 -6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.072 -7.810 -7.673 1.00 0.00 H new ATOM 1736 N ALA A 103 -5.892 -4.898 -3.703 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.306 -5.974 -2.915 1.00 0.00 C ATOM 1738 C ALA A 103 -6.375 -6.744 -2.133 1.00 0.00 C ATOM 1739 O ALA A 103 -6.409 -7.971 -2.152 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.278 -5.410 -1.971 1.00 0.00 C ATOM 0 H ALA A 103 -5.601 -3.959 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.828 -6.675 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.842 -6.218 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.494 -4.912 -2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.753 -4.691 -1.303 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.249 -6.009 -1.463 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.320 -6.593 -0.661 1.00 0.00 C ATOM 1748 C GLU A 104 -9.184 -7.499 -1.521 1.00 0.00 C ATOM 1749 O GLU A 104 -9.464 -8.633 -1.152 1.00 0.00 O ATOM 1750 CB GLU A 104 -9.174 -5.465 -0.073 1.00 0.00 C ATOM 1751 CG GLU A 104 -10.359 -5.922 0.760 1.00 0.00 C ATOM 1752 CD GLU A 104 -11.196 -4.743 1.235 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -11.378 -4.603 2.463 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -11.662 -3.951 0.381 1.00 0.00 O ATOM 0 H GLU A 104 -7.238 -4.989 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.888 -7.187 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.537 -4.833 0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.542 -4.845 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.980 -6.597 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.003 -6.487 1.621 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.583 -6.984 -2.674 1.00 0.00 N ATOM 1762 CA LYS A 105 -10.419 -7.707 -3.630 1.00 0.00 C ATOM 1763 C LYS A 105 -9.718 -8.945 -4.159 1.00 0.00 C ATOM 1764 O LYS A 105 -10.331 -9.984 -4.324 1.00 0.00 O ATOM 1765 CB LYS A 105 -10.719 -6.752 -4.780 1.00 0.00 C ATOM 1766 CG LYS A 105 -11.696 -7.225 -5.838 1.00 0.00 C ATOM 1767 CD LYS A 105 -11.570 -6.332 -7.089 1.00 0.00 C ATOM 1768 CE LYS A 105 -11.826 -4.838 -6.778 1.00 0.00 C ATOM 1769 NZ LYS A 105 -11.633 -3.971 -7.990 1.00 0.00 N ATOM 0 H LYS A 105 -9.335 -6.043 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.334 -8.041 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.103 -5.824 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.777 -6.512 -5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.493 -8.264 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.714 -7.186 -5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.573 -6.446 -7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.279 -6.669 -7.845 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.842 -4.715 -6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.151 -4.511 -5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.814 -2.978 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.657 -4.069 -8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.295 -4.265 -8.736 1.00 0.00 H new ATOM 1783 N GLU A 106 -8.432 -8.833 -4.434 1.00 0.00 N ATOM 1784 CA GLU A 106 -7.664 -9.962 -4.945 1.00 0.00 C ATOM 1785 C GLU A 106 -7.562 -11.050 -3.884 1.00 0.00 C ATOM 1786 O GLU A 106 -7.854 -12.226 -4.155 1.00 0.00 O ATOM 1787 CB GLU A 106 -6.266 -9.498 -5.347 1.00 0.00 C ATOM 1788 CG GLU A 106 -5.373 -10.599 -5.876 1.00 0.00 C ATOM 1789 CD GLU A 106 -3.985 -10.083 -6.162 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -3.030 -10.530 -5.496 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -3.846 -9.215 -7.050 1.00 0.00 O ATOM 0 H GLU A 106 -7.894 -7.975 -4.314 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.173 -10.368 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.358 -8.723 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.785 -9.040 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.320 -11.409 -5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.804 -11.015 -6.786 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.161 -10.654 -2.681 1.00 0.00 N ATOM 1799 CA LEU A 107 -6.991 -11.601 -1.582 1.00 0.00 C ATOM 1800 C LEU A 107 -8.315 -12.275 -1.287 1.00 0.00 C ATOM 1801 O LEU A 107 -8.383 -13.498 -1.104 1.00 0.00 O ATOM 1802 CB LEU A 107 -6.446 -10.888 -0.340 1.00 0.00 C ATOM 1803 CG LEU A 107 -4.963 -10.480 -0.446 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -4.667 -9.250 0.389 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -4.043 -11.613 0.002 1.00 0.00 C ATOM 0 H LEU A 107 -6.948 -9.686 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.267 -12.363 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.044 -9.996 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.571 -11.541 0.524 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.774 -10.255 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.613 -8.989 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.280 -8.418 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.895 -9.457 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.004 -11.294 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.259 -11.868 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.208 -12.487 -0.629 1.00 0.00 H new ATOM 1817 N GLU A 108 -9.373 -11.479 -1.267 1.00 0.00 N ATOM 1818 CA GLU A 108 -10.711 -11.995 -1.049 1.00 0.00 C ATOM 1819 C GLU A 108 -11.005 -13.012 -2.129 1.00 0.00 C ATOM 1820 O GLU A 108 -11.364 -14.135 -1.822 1.00 0.00 O ATOM 1821 CB GLU A 108 -11.737 -10.856 -1.105 1.00 0.00 C ATOM 1822 CG GLU A 108 -13.175 -11.289 -0.901 1.00 0.00 C ATOM 1823 CD GLU A 108 -14.140 -10.122 -1.040 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -14.823 -9.793 -0.047 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -14.208 -9.526 -2.140 1.00 0.00 O ATOM 0 H GLU A 108 -9.328 -10.469 -1.400 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.776 -12.460 -0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.483 -10.118 -0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.655 -10.359 -2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.429 -12.060 -1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.284 -11.735 0.088 1.00 0.00 H new ATOM 1832 N SER A 109 -10.835 -12.628 -3.388 1.00 0.00 N ATOM 1833 CA SER A 109 -11.164 -13.498 -4.509 1.00 0.00 C ATOM 1834 C SER A 109 -10.439 -14.837 -4.505 1.00 0.00 C ATOM 1835 O SER A 109 -11.070 -15.862 -4.764 1.00 0.00 O ATOM 1836 CB SER A 109 -10.909 -12.783 -5.839 1.00 0.00 C ATOM 1837 OG SER A 109 -9.523 -12.564 -6.070 1.00 0.00 O ATOM 0 H SER A 109 -10.469 -11.715 -3.659 1.00 0.00 H new ATOM 0 HA SER A 109 -12.224 -13.724 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.323 -13.376 -6.654 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.432 -11.827 -5.843 1.00 0.00 H new ATOM 0 HG SER A 109 -9.072 -12.395 -5.217 1.00 0.00 H new ATOM 1843 N HIS A 110 -9.142 -14.875 -4.213 1.00 0.00 N ATOM 1844 CA HIS A 110 -8.466 -16.173 -4.227 1.00 0.00 C ATOM 1845 C HIS A 110 -8.761 -16.974 -2.956 1.00 0.00 C ATOM 1846 O HIS A 110 -8.657 -18.195 -2.964 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.966 -16.087 -4.594 1.00 0.00 C ATOM 1848 CG HIS A 110 -6.105 -15.307 -3.645 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -5.760 -15.711 -2.379 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -5.426 -14.139 -3.835 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -4.933 -14.808 -1.863 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -4.679 -13.828 -2.713 1.00 0.00 N ATOM 0 H HIS A 110 -8.562 -14.071 -3.976 1.00 0.00 H new ATOM 0 HA HIS A 110 -8.896 -16.745 -5.049 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.570 -17.100 -4.665 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.879 -15.641 -5.585 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -6.083 -16.559 -1.914 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -5.466 -13.542 -4.734 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -4.518 -14.868 -0.868 1.00 0.00 H new ATOM 1860 N SER A 111 -9.179 -16.304 -1.887 1.00 0.00 N ATOM 1861 CA SER A 111 -9.587 -17.010 -0.661 1.00 0.00 C ATOM 1862 C SER A 111 -11.089 -17.360 -0.631 1.00 0.00 C ATOM 1863 O SER A 111 -11.545 -18.050 0.277 1.00 0.00 O ATOM 1864 CB SER A 111 -9.289 -16.132 0.551 1.00 0.00 C ATOM 1865 OG SER A 111 -10.024 -14.918 0.474 1.00 0.00 O ATOM 0 H SER A 111 -9.247 -15.288 -1.836 1.00 0.00 H new ATOM 0 HA SER A 111 -9.023 -17.942 -0.640 1.00 0.00 H new ATOM 0 HB2 SER A 111 -9.548 -16.664 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 111 -8.222 -15.916 0.599 1.00 0.00 H new ATOM 0 HG SER A 111 -9.437 -14.200 0.156 1.00 0.00 H new ATOM 1871 N SER A 112 -11.855 -16.875 -1.604 1.00 0.00 N ATOM 1872 CA SER A 112 -13.320 -17.048 -1.614 1.00 0.00 C ATOM 1873 C SER A 112 -13.814 -18.475 -1.800 1.00 0.00 C ATOM 1874 O SER A 112 -14.934 -18.800 -1.407 1.00 0.00 O ATOM 1875 CB SER A 112 -13.947 -16.203 -2.724 1.00 0.00 C ATOM 1876 OG SER A 112 -13.831 -14.820 -2.454 1.00 0.00 O ATOM 0 H SER A 112 -11.491 -16.356 -2.403 1.00 0.00 H new ATOM 0 HA SER A 112 -13.626 -16.730 -0.617 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.462 -16.431 -3.673 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.999 -16.466 -2.832 1.00 0.00 H new ATOM 0 HG SER A 112 -12.885 -14.564 -2.459 1.00 0.00 H new ATOM 1882 N TRP A 113 -13.011 -19.336 -2.403 1.00 0.00 N ATOM 1883 CA TRP A 113 -13.442 -20.713 -2.604 1.00 0.00 C ATOM 1884 C TRP A 113 -13.298 -21.445 -1.271 1.00 0.00 C ATOM 1885 O TRP A 113 -12.196 -21.623 -0.771 1.00 0.00 O ATOM 1886 CB TRP A 113 -12.622 -21.388 -3.698 1.00 0.00 C ATOM 1887 CG TRP A 113 -13.172 -22.734 -4.082 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -13.146 -23.877 -3.347 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -13.851 -23.085 -5.303 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -13.745 -24.909 -3.997 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -14.189 -24.468 -5.213 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -14.209 -22.373 -6.467 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -14.861 -25.151 -6.249 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -14.884 -23.056 -7.514 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -15.201 -24.443 -7.389 1.00 0.00 C ATOM 0 H TRP A 113 -12.079 -19.116 -2.755 1.00 0.00 H new ATOM 0 HA TRP A 113 -14.481 -20.739 -2.932 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -12.597 -20.745 -4.578 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -11.593 -21.503 -3.358 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.703 -23.955 -2.365 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -13.847 -25.858 -3.637 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -13.973 -21.323 -6.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -15.104 -26.199 -6.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -15.160 -22.522 -8.412 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -15.713 -24.947 -8.195 1.00 0.00 H new ATOM 1906 N TYR A 114 -14.418 -21.850 -0.695 1.00 0.00 N ATOM 1907 CA TYR A 114 -14.416 -22.489 0.618 1.00 0.00 C ATOM 1908 C TYR A 114 -13.621 -23.796 0.672 1.00 0.00 C ATOM 1909 O TYR A 114 -13.766 -24.669 -0.192 1.00 0.00 O ATOM 1910 CB TYR A 114 -15.855 -22.768 1.057 1.00 0.00 C ATOM 1911 CG TYR A 114 -15.934 -23.501 2.379 1.00 0.00 C ATOM 1912 CD1 TYR A 114 -16.168 -24.893 2.420 1.00 0.00 C ATOM 1913 CD2 TYR A 114 -15.763 -22.813 3.599 1.00 0.00 C ATOM 1914 CE1 TYR A 114 -16.219 -25.586 3.658 1.00 0.00 C ATOM 1915 CE2 TYR A 114 -15.811 -23.507 4.838 1.00 0.00 C ATOM 1916 CZ TYR A 114 -16.035 -24.889 4.852 1.00 0.00 C ATOM 1917 OH TYR A 114 -16.083 -25.562 6.047 1.00 0.00 O ATOM 0 H TYR A 114 -15.343 -21.749 -1.113 1.00 0.00 H new ATOM 0 HA TYR A 114 -13.922 -21.789 1.292 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -16.395 -21.824 1.137 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -16.356 -23.358 0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -16.310 -25.437 1.498 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -15.594 -21.746 3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -16.400 -26.651 3.675 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -15.675 -22.970 5.765 1.00 0.00 H new ATOM 0 HH TYR A 114 -15.935 -24.932 6.783 1.00 0.00 H new ATOM 1927 N ALA A 115 -12.805 -23.906 1.713 1.00 0.00 N ATOM 1928 CA ALA A 115 -12.027 -25.095 2.031 1.00 0.00 C ATOM 1929 C ALA A 115 -11.720 -24.939 3.518 1.00 0.00 C ATOM 1930 O ALA A 115 -11.747 -23.760 3.962 1.00 0.00 O ATOM 1931 CB ALA A 115 -10.735 -25.143 1.206 1.00 0.00 C ATOM 1932 OXT ALA A 115 -11.474 -25.939 4.213 1.00 0.00 O ATOM 0 H ALA A 115 -12.663 -23.147 2.379 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.558 -26.020 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.173 -26.041 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.982 -25.160 0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.131 -24.262 1.424 1.00 0.00 H new TER 1938 ALA A 115