USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 937 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 90 TYR OH : rot 180:sc= -0.0185 USER MOD Set 1.2: A 94 GLN : amide:sc= 0.931 K(o=1.5,f=2.3) USER MOD Set 1.3: A 110 HIS : no HD1:sc= 0.606 K(o=1.5,f=-12!) USER MOD Set 2.1: A 44 LYS NZ :NH3+ -137:sc= 1.15 (180deg=0) USER MOD Set 2.2: A 77 TYR OH : rot 165:sc= 0.99 USER MOD Set 3.1: A 7 LYS NZ :NH3+ -142:sc= 0.515 (180deg=-0.891) USER MOD Set 3.2: A 17 TYR OH : rot -128:sc= 1.28 USER MOD Single : A 1 MET CE :methyl -139:sc= -4.31! (180deg=-7.57!) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.0346 (180deg=-0.0305) USER MOD Single : A 2 ASN : amide:sc= -0.0717 K(o=-0.072,f=-2.3!) USER MOD Single : A 3 SER OG : rot 140:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.34 K(o=-0.34,f=-3.1!) USER MOD Single : A 25 HIS : no HD1:sc= 0.202 K(o=0.2,f=-5.2!) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= 0.414 (180deg=-0.636!) USER MOD Single : A 32 TYR OH : rot 90:sc= 1.01 USER MOD Single : A 36 LYS NZ :NH3+ -110:sc= 1.26 (180deg=0.716) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc=0.000824 USER MOD Single : A 46 TYR OH : rot 180:sc= -2.52! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -135:sc= -0.432 (180deg=-2.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= 0.976 (180deg=0.000128) USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= 1.19 (180deg=0.878) USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= 1.24 (180deg=0.46) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 1.02 (180deg=0.892) USER MOD Single : A 80 THR OG1 : rot 137:sc= 1.25 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 116:sc= 1.1 USER MOD Single : A 91 SER OG : rot 180:sc= 0.00644 USER MOD Single : A 95 LYS NZ :NH3+ -161:sc= 0.11 (180deg=-0.271) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0175) USER MOD Single : A 102 THR OG1 : rot -160:sc= -0.688 USER MOD Single : A 103 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0907) USER MOD Single : A 106 HIS : no HD1:sc= 1.02 K(o=1,f=-4.3!) USER MOD Single : A 107 HIS : no HD1:sc= -1.23! C(o=-1.2!,f=-6!) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.839 K(o=-0.84,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 80.959 -11.042 -1.543 1.00 0.00 N ATOM 2 CA MET A 1 80.518 -10.462 -2.827 1.00 0.00 C ATOM 3 C MET A 1 81.551 -10.739 -3.902 1.00 0.00 C ATOM 4 O MET A 1 82.720 -10.991 -3.602 1.00 0.00 O ATOM 5 CB MET A 1 80.325 -8.948 -2.726 1.00 0.00 C ATOM 6 CG MET A 1 79.389 -8.496 -1.621 1.00 0.00 C ATOM 7 SD MET A 1 78.832 -6.800 -1.859 1.00 0.00 S ATOM 8 CE MET A 1 80.382 -5.981 -2.236 1.00 0.00 C ATOM 0 H1 MET A 1 80.167 -11.552 -1.102 1.00 0.00 H new ATOM 0 H2 MET A 1 81.745 -11.702 -1.712 1.00 0.00 H new ATOM 0 H3 MET A 1 81.276 -10.281 -0.909 1.00 0.00 H new ATOM 0 HA MET A 1 79.564 -10.925 -3.080 1.00 0.00 H new ATOM 0 HB2 MET A 1 81.298 -8.482 -2.571 1.00 0.00 H new ATOM 0 HB3 MET A 1 79.943 -8.581 -3.679 1.00 0.00 H new ATOM 0 HG2 MET A 1 78.525 -9.159 -1.584 1.00 0.00 H new ATOM 0 HG3 MET A 1 79.896 -8.579 -0.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 80.417 -5.017 -1.729 1.00 0.00 H new ATOM 0 HE2 MET A 1 81.213 -6.600 -1.896 1.00 0.00 H new ATOM 0 HE3 MET A 1 80.460 -5.828 -3.312 1.00 0.00 H new ATOM 20 N ASN A 2 81.117 -10.684 -5.149 1.00 0.00 N ATOM 21 CA ASN A 2 82.021 -10.830 -6.278 1.00 0.00 C ATOM 22 C ASN A 2 82.400 -9.457 -6.816 1.00 0.00 C ATOM 23 O ASN A 2 81.647 -8.492 -6.656 1.00 0.00 O ATOM 24 CB ASN A 2 81.382 -11.672 -7.386 1.00 0.00 C ATOM 25 CG ASN A 2 81.189 -13.125 -6.991 1.00 0.00 C ATOM 26 OD1 ASN A 2 80.954 -13.449 -5.825 1.00 0.00 O ATOM 27 ND2 ASN A 2 81.296 -14.015 -7.962 1.00 0.00 N ATOM 0 H ASN A 2 80.141 -10.539 -5.407 1.00 0.00 H new ATOM 0 HA ASN A 2 82.919 -11.344 -5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 2 80.416 -11.242 -7.650 1.00 0.00 H new ATOM 0 HB3 ASN A 2 82.007 -11.624 -8.278 1.00 0.00 H new ATOM 0 HD21 ASN A 2 81.183 -15.008 -7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 2 81.491 -13.709 -8.915 1.00 0.00 H new ATOM 34 N SER A 3 83.566 -9.371 -7.444 1.00 0.00 N ATOM 35 CA SER A 3 84.069 -8.104 -7.967 1.00 0.00 C ATOM 36 C SER A 3 83.138 -7.514 -9.029 1.00 0.00 C ATOM 37 O SER A 3 83.087 -6.295 -9.204 1.00 0.00 O ATOM 38 CB SER A 3 85.474 -8.296 -8.539 1.00 0.00 C ATOM 39 OG SER A 3 85.502 -9.352 -9.486 1.00 0.00 O ATOM 0 H SER A 3 84.184 -10.166 -7.605 1.00 0.00 H new ATOM 0 HA SER A 3 84.109 -7.395 -7.140 1.00 0.00 H new ATOM 0 HB2 SER A 3 85.807 -7.372 -9.011 1.00 0.00 H new ATOM 0 HB3 SER A 3 86.173 -8.510 -7.730 1.00 0.00 H new ATOM 0 HG SER A 3 86.075 -9.100 -10.240 1.00 0.00 H new ATOM 45 N GLU A 4 82.405 -8.377 -9.728 1.00 0.00 N ATOM 46 CA GLU A 4 81.453 -7.939 -10.744 1.00 0.00 C ATOM 47 C GLU A 4 80.423 -6.990 -10.134 1.00 0.00 C ATOM 48 O GLU A 4 80.130 -5.932 -10.689 1.00 0.00 O ATOM 49 CB GLU A 4 80.738 -9.147 -11.354 1.00 0.00 C ATOM 50 CG GLU A 4 79.878 -8.802 -12.558 1.00 0.00 C ATOM 51 CD GLU A 4 80.697 -8.550 -13.808 1.00 0.00 C ATOM 52 OE1 GLU A 4 81.354 -7.493 -13.903 1.00 0.00 O ATOM 53 OE2 GLU A 4 80.694 -9.418 -14.706 1.00 0.00 O ATOM 0 H GLU A 4 82.453 -9.389 -9.608 1.00 0.00 H new ATOM 0 HA GLU A 4 82.002 -7.414 -11.526 1.00 0.00 H new ATOM 0 HB2 GLU A 4 81.481 -9.887 -11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.112 -9.611 -10.592 1.00 0.00 H new ATOM 0 HG2 GLU A 4 79.178 -9.617 -12.745 1.00 0.00 H new ATOM 0 HG3 GLU A 4 79.284 -7.916 -12.333 1.00 0.00 H new ATOM 60 N VAL A 5 79.903 -7.372 -8.972 1.00 0.00 N ATOM 61 CA VAL A 5 78.908 -6.570 -8.270 1.00 0.00 C ATOM 62 C VAL A 5 79.500 -5.221 -7.875 1.00 0.00 C ATOM 63 O VAL A 5 78.840 -4.185 -7.970 1.00 0.00 O ATOM 64 CB VAL A 5 78.395 -7.296 -7.007 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.296 -6.496 -6.324 1.00 0.00 C ATOM 66 CG2 VAL A 5 77.900 -8.689 -7.358 1.00 0.00 C ATOM 0 H VAL A 5 80.156 -8.237 -8.495 1.00 0.00 H new ATOM 0 HA VAL A 5 78.068 -6.416 -8.947 1.00 0.00 H new ATOM 0 HB VAL A 5 79.228 -7.388 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 5 76.954 -7.031 -5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 5 77.684 -5.520 -6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.461 -6.363 -7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 5 77.542 -9.186 -6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.086 -8.615 -8.079 1.00 0.00 H new ATOM 0 HG23 VAL A 5 78.716 -9.267 -7.791 1.00 0.00 H new ATOM 76 N ILE A 6 80.757 -5.247 -7.453 1.00 0.00 N ATOM 77 CA ILE A 6 81.470 -4.031 -7.089 1.00 0.00 C ATOM 78 C ILE A 6 81.595 -3.110 -8.302 1.00 0.00 C ATOM 79 O ILE A 6 81.330 -1.913 -8.212 1.00 0.00 O ATOM 80 CB ILE A 6 82.874 -4.354 -6.531 1.00 0.00 C ATOM 81 CG1 ILE A 6 82.766 -5.344 -5.365 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.574 -3.079 -6.082 1.00 0.00 C ATOM 83 CD1 ILE A 6 84.104 -5.789 -4.811 1.00 0.00 C ATOM 0 H ILE A 6 81.306 -6.101 -7.354 1.00 0.00 H new ATOM 0 HA ILE A 6 80.898 -3.527 -6.310 1.00 0.00 H new ATOM 0 HB ILE A 6 83.467 -4.812 -7.323 1.00 0.00 H new ATOM 0 HG12 ILE A 6 82.187 -4.885 -4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.211 -6.222 -5.697 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.562 -3.324 -5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.677 -2.402 -6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 6 82.985 -2.596 -5.302 1.00 0.00 H new ATOM 0 HD11 ILE A 6 83.944 -6.488 -3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 6 84.679 -6.279 -5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 6 84.654 -4.921 -4.447 1.00 0.00 H new ATOM 95 N LYS A 7 81.975 -3.688 -9.439 1.00 0.00 N ATOM 96 CA LYS A 7 82.081 -2.946 -10.694 1.00 0.00 C ATOM 97 C LYS A 7 80.756 -2.281 -11.052 1.00 0.00 C ATOM 98 O LYS A 7 80.715 -1.094 -11.378 1.00 0.00 O ATOM 99 CB LYS A 7 82.508 -3.878 -11.826 1.00 0.00 C ATOM 100 CG LYS A 7 83.973 -4.269 -11.779 1.00 0.00 C ATOM 101 CD LYS A 7 84.293 -5.325 -12.822 1.00 0.00 C ATOM 102 CE LYS A 7 85.782 -5.393 -13.100 1.00 0.00 C ATOM 103 NZ LYS A 7 86.273 -4.150 -13.753 1.00 0.00 N ATOM 0 H LYS A 7 82.217 -4.676 -9.517 1.00 0.00 H new ATOM 0 HA LYS A 7 82.834 -2.170 -10.560 1.00 0.00 H new ATOM 0 HB2 LYS A 7 81.899 -4.781 -11.789 1.00 0.00 H new ATOM 0 HB3 LYS A 7 82.302 -3.393 -12.780 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.593 -3.388 -11.947 1.00 0.00 H new ATOM 0 HG3 LYS A 7 84.220 -4.647 -10.787 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.941 -6.297 -12.478 1.00 0.00 H new ATOM 0 HD3 LYS A 7 83.759 -5.101 -13.745 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.321 -5.551 -12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.995 -6.250 -13.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.990 -4.392 -14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.478 -3.662 -14.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.694 -3.525 -13.037 1.00 0.00 H new ATOM 117 N GLU A 8 79.680 -3.056 -10.990 1.00 0.00 N ATOM 118 CA GLU A 8 78.347 -2.545 -11.291 1.00 0.00 C ATOM 119 C GLU A 8 77.980 -1.398 -10.357 1.00 0.00 C ATOM 120 O GLU A 8 77.518 -0.348 -10.804 1.00 0.00 O ATOM 121 CB GLU A 8 77.309 -3.664 -11.178 1.00 0.00 C ATOM 122 CG GLU A 8 77.491 -4.771 -12.202 1.00 0.00 C ATOM 123 CD GLU A 8 77.324 -4.278 -13.624 1.00 0.00 C ATOM 124 OE1 GLU A 8 78.318 -3.834 -14.226 1.00 0.00 O ATOM 125 OE2 GLU A 8 76.191 -4.332 -14.148 1.00 0.00 O ATOM 0 H GLU A 8 79.704 -4.043 -10.733 1.00 0.00 H new ATOM 0 HA GLU A 8 78.353 -2.168 -12.314 1.00 0.00 H new ATOM 0 HB2 GLU A 8 77.359 -4.094 -10.178 1.00 0.00 H new ATOM 0 HB3 GLU A 8 76.313 -3.236 -11.291 1.00 0.00 H new ATOM 0 HG2 GLU A 8 78.482 -5.209 -12.087 1.00 0.00 H new ATOM 0 HG3 GLU A 8 76.768 -5.563 -12.008 1.00 0.00 H new ATOM 132 N PHE A 9 78.208 -1.601 -9.065 1.00 0.00 N ATOM 133 CA PHE A 9 77.863 -0.607 -8.052 1.00 0.00 C ATOM 134 C PHE A 9 78.665 0.679 -8.239 1.00 0.00 C ATOM 135 O PHE A 9 78.107 1.776 -8.231 1.00 0.00 O ATOM 136 CB PHE A 9 78.105 -1.183 -6.653 1.00 0.00 C ATOM 137 CG PHE A 9 77.768 -0.236 -5.535 1.00 0.00 C ATOM 138 CD1 PHE A 9 76.449 -0.024 -5.164 1.00 0.00 C ATOM 139 CD2 PHE A 9 78.768 0.439 -4.854 1.00 0.00 C ATOM 140 CE1 PHE A 9 76.136 0.845 -4.136 1.00 0.00 C ATOM 141 CE2 PHE A 9 78.461 1.308 -3.825 1.00 0.00 C ATOM 142 CZ PHE A 9 77.143 1.511 -3.465 1.00 0.00 C ATOM 0 H PHE A 9 78.633 -2.450 -8.691 1.00 0.00 H new ATOM 0 HA PHE A 9 76.807 -0.361 -8.163 1.00 0.00 H new ATOM 0 HB2 PHE A 9 77.513 -2.091 -6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.152 -1.473 -6.567 1.00 0.00 H new ATOM 0 HD1 PHE A 9 75.658 -0.544 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 9 79.800 0.284 -5.131 1.00 0.00 H new ATOM 0 HE1 PHE A 9 75.105 1.003 -3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 9 79.250 1.828 -3.303 1.00 0.00 H new ATOM 0 HZ PHE A 9 76.900 2.189 -2.660 1.00 0.00 H new ATOM 152 N LEU A 10 79.973 0.539 -8.420 1.00 0.00 N ATOM 153 CA LEU A 10 80.853 1.694 -8.564 1.00 0.00 C ATOM 154 C LEU A 10 80.492 2.511 -9.798 1.00 0.00 C ATOM 155 O LEU A 10 80.365 3.731 -9.730 1.00 0.00 O ATOM 156 CB LEU A 10 82.316 1.252 -8.640 1.00 0.00 C ATOM 157 CG LEU A 10 82.861 0.591 -7.372 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.286 0.119 -7.594 1.00 0.00 C ATOM 159 CD2 LEU A 10 82.795 1.554 -6.196 1.00 0.00 C ATOM 0 H LEU A 10 80.448 -0.362 -8.471 1.00 0.00 H new ATOM 0 HA LEU A 10 80.719 2.323 -7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.426 0.555 -9.471 1.00 0.00 H new ATOM 0 HB3 LEU A 10 82.931 2.122 -8.871 1.00 0.00 H new ATOM 0 HG LEU A 10 82.241 -0.275 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.660 -0.349 -6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.307 -0.605 -8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 10 84.916 0.971 -7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.187 1.066 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.391 2.439 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 10 81.760 1.848 -6.024 1.00 0.00 H new ATOM 171 N GLU A 11 80.301 1.837 -10.920 1.00 0.00 N ATOM 172 CA GLU A 11 79.997 2.522 -12.166 1.00 0.00 C ATOM 173 C GLU A 11 78.527 2.937 -12.233 1.00 0.00 C ATOM 174 O GLU A 11 78.112 3.633 -13.158 1.00 0.00 O ATOM 175 CB GLU A 11 80.385 1.649 -13.357 1.00 0.00 C ATOM 176 CG GLU A 11 81.889 1.431 -13.461 1.00 0.00 C ATOM 177 CD GLU A 11 82.292 0.623 -14.675 1.00 0.00 C ATOM 178 OE1 GLU A 11 81.636 0.753 -15.728 1.00 0.00 O ATOM 179 OE2 GLU A 11 83.290 -0.124 -14.592 1.00 0.00 O ATOM 0 H GLU A 11 80.351 0.821 -10.994 1.00 0.00 H new ATOM 0 HA GLU A 11 80.588 3.437 -12.205 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.887 0.683 -13.272 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.025 2.113 -14.275 1.00 0.00 H new ATOM 0 HG2 GLU A 11 82.388 2.399 -13.495 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.239 0.923 -12.562 1.00 0.00 H new ATOM 186 N ASP A 12 77.747 2.514 -11.243 1.00 0.00 N ATOM 187 CA ASP A 12 76.365 2.965 -11.115 1.00 0.00 C ATOM 188 C ASP A 12 76.327 4.317 -10.422 1.00 0.00 C ATOM 189 O ASP A 12 75.641 5.239 -10.863 1.00 0.00 O ATOM 190 CB ASP A 12 75.529 1.957 -10.323 1.00 0.00 C ATOM 191 CG ASP A 12 74.107 2.432 -10.095 1.00 0.00 C ATOM 192 OD1 ASP A 12 73.246 2.189 -10.965 1.00 0.00 O ATOM 193 OD2 ASP A 12 73.837 3.044 -9.039 1.00 0.00 O ATOM 0 H ASP A 12 78.047 1.861 -10.519 1.00 0.00 H new ATOM 0 HA ASP A 12 75.941 3.053 -12.115 1.00 0.00 H new ATOM 0 HB2 ASP A 12 75.510 1.007 -10.857 1.00 0.00 H new ATOM 0 HB3 ASP A 12 76.005 1.772 -9.360 1.00 0.00 H new ATOM 198 N ILE A 13 77.084 4.435 -9.335 1.00 0.00 N ATOM 199 CA ILE A 13 77.154 5.683 -8.587 1.00 0.00 C ATOM 200 C ILE A 13 78.053 6.695 -9.296 1.00 0.00 C ATOM 201 O ILE A 13 78.078 7.873 -8.943 1.00 0.00 O ATOM 202 CB ILE A 13 77.656 5.464 -7.142 1.00 0.00 C ATOM 203 CG1 ILE A 13 79.057 4.842 -7.140 1.00 0.00 C ATOM 204 CG2 ILE A 13 76.677 4.583 -6.375 1.00 0.00 C ATOM 205 CD1 ILE A 13 79.642 4.649 -5.755 1.00 0.00 C ATOM 0 H ILE A 13 77.656 3.682 -8.954 1.00 0.00 H new ATOM 0 HA ILE A 13 76.139 6.077 -8.537 1.00 0.00 H new ATOM 0 HB ILE A 13 77.717 6.433 -6.647 1.00 0.00 H new ATOM 0 HG12 ILE A 13 79.016 3.876 -7.644 1.00 0.00 H new ATOM 0 HG13 ILE A 13 79.726 5.476 -7.721 1.00 0.00 H new ATOM 0 HG21 ILE A 13 77.040 4.435 -5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 13 75.700 5.066 -6.345 1.00 0.00 H new ATOM 0 HG23 ILE A 13 76.589 3.617 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 13 80.634 4.205 -5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 13 79.717 5.614 -5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 13 78.996 3.989 -5.176 1.00 0.00 H new ATOM 217 N GLY A 14 78.799 6.221 -10.288 1.00 0.00 N ATOM 218 CA GLY A 14 79.606 7.111 -11.100 1.00 0.00 C ATOM 219 C GLY A 14 81.035 7.227 -10.612 1.00 0.00 C ATOM 220 O GLY A 14 81.686 8.251 -10.820 1.00 0.00 O ATOM 0 H GLY A 14 78.859 5.235 -10.544 1.00 0.00 H new ATOM 0 HA2 GLY A 14 79.608 6.753 -12.129 1.00 0.00 H new ATOM 0 HA3 GLY A 14 79.149 8.101 -11.108 1.00 0.00 H new ATOM 224 N GLU A 15 81.531 6.178 -9.974 1.00 0.00 N ATOM 225 CA GLU A 15 82.884 6.181 -9.442 1.00 0.00 C ATOM 226 C GLU A 15 83.887 5.707 -10.491 1.00 0.00 C ATOM 227 O GLU A 15 83.638 4.746 -11.224 1.00 0.00 O ATOM 228 CB GLU A 15 82.971 5.300 -8.189 1.00 0.00 C ATOM 229 CG GLU A 15 84.384 5.128 -7.642 1.00 0.00 C ATOM 230 CD GLU A 15 85.019 6.430 -7.186 1.00 0.00 C ATOM 231 OE1 GLU A 15 85.015 7.412 -7.958 1.00 0.00 O ATOM 232 OE2 GLU A 15 85.537 6.482 -6.057 1.00 0.00 O ATOM 0 H GLU A 15 81.016 5.313 -9.812 1.00 0.00 H new ATOM 0 HA GLU A 15 83.135 7.206 -9.169 1.00 0.00 H new ATOM 0 HB2 GLU A 15 82.342 5.732 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 15 82.561 4.317 -8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 15 84.358 4.432 -6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 15 85.011 4.677 -8.411 1.00 0.00 H new ATOM 239 N ASP A 16 85.014 6.400 -10.562 1.00 0.00 N ATOM 240 CA ASP A 16 86.104 6.011 -11.445 1.00 0.00 C ATOM 241 C ASP A 16 87.214 5.374 -10.623 1.00 0.00 C ATOM 242 O ASP A 16 87.876 6.047 -9.828 1.00 0.00 O ATOM 243 CB ASP A 16 86.647 7.219 -12.211 1.00 0.00 C ATOM 244 CG ASP A 16 87.787 6.847 -13.141 1.00 0.00 C ATOM 245 OD1 ASP A 16 87.518 6.283 -14.223 1.00 0.00 O ATOM 246 OD2 ASP A 16 88.957 7.122 -12.802 1.00 0.00 O ATOM 0 H ASP A 16 85.198 7.241 -10.014 1.00 0.00 H new ATOM 0 HA ASP A 16 85.726 5.293 -12.173 1.00 0.00 H new ATOM 0 HB2 ASP A 16 85.842 7.671 -12.790 1.00 0.00 H new ATOM 0 HB3 ASP A 16 86.991 7.972 -11.501 1.00 0.00 H new ATOM 251 N TYR A 17 87.397 4.077 -10.791 1.00 0.00 N ATOM 252 CA TYR A 17 88.384 3.347 -10.014 1.00 0.00 C ATOM 253 C TYR A 17 89.632 3.066 -10.837 1.00 0.00 C ATOM 254 O TYR A 17 89.580 3.025 -12.068 1.00 0.00 O ATOM 255 CB TYR A 17 87.793 2.041 -9.467 1.00 0.00 C ATOM 256 CG TYR A 17 87.128 1.149 -10.501 1.00 0.00 C ATOM 257 CD1 TYR A 17 87.878 0.315 -11.322 1.00 0.00 C ATOM 258 CD2 TYR A 17 85.744 1.126 -10.637 1.00 0.00 C ATOM 259 CE1 TYR A 17 87.268 -0.512 -12.248 1.00 0.00 C ATOM 260 CE2 TYR A 17 85.129 0.303 -11.563 1.00 0.00 C ATOM 261 CZ TYR A 17 85.896 -0.514 -12.366 1.00 0.00 C ATOM 262 OH TYR A 17 85.287 -1.344 -13.284 1.00 0.00 O ATOM 0 H TYR A 17 86.876 3.507 -11.458 1.00 0.00 H new ATOM 0 HA TYR A 17 88.671 3.973 -9.169 1.00 0.00 H new ATOM 0 HB2 TYR A 17 88.589 1.476 -8.981 1.00 0.00 H new ATOM 0 HB3 TYR A 17 87.061 2.286 -8.698 1.00 0.00 H new ATOM 0 HD1 TYR A 17 88.955 0.313 -11.236 1.00 0.00 H new ATOM 0 HD2 TYR A 17 85.139 1.762 -10.008 1.00 0.00 H new ATOM 0 HE1 TYR A 17 87.866 -1.155 -12.877 1.00 0.00 H new ATOM 0 HE2 TYR A 17 84.053 0.300 -11.657 1.00 0.00 H new ATOM 0 HH TYR A 17 84.678 -0.820 -13.845 1.00 0.00 H new ATOM 272 N ILE A 18 90.753 2.895 -10.152 1.00 0.00 N ATOM 273 CA ILE A 18 92.001 2.533 -10.803 1.00 0.00 C ATOM 274 C ILE A 18 92.198 1.027 -10.694 1.00 0.00 C ATOM 275 O ILE A 18 92.574 0.516 -9.635 1.00 0.00 O ATOM 276 CB ILE A 18 93.208 3.260 -10.168 1.00 0.00 C ATOM 277 CG1 ILE A 18 92.972 4.774 -10.155 1.00 0.00 C ATOM 278 CG2 ILE A 18 94.488 2.927 -10.923 1.00 0.00 C ATOM 279 CD1 ILE A 18 94.064 5.558 -9.457 1.00 0.00 C ATOM 0 H ILE A 18 90.823 3.002 -9.140 1.00 0.00 H new ATOM 0 HA ILE A 18 91.943 2.836 -11.848 1.00 0.00 H new ATOM 0 HB ILE A 18 93.316 2.917 -9.139 1.00 0.00 H new ATOM 0 HG12 ILE A 18 92.884 5.127 -11.182 1.00 0.00 H new ATOM 0 HG13 ILE A 18 92.020 4.980 -9.665 1.00 0.00 H new ATOM 0 HG21 ILE A 18 95.328 3.447 -10.463 1.00 0.00 H new ATOM 0 HG22 ILE A 18 94.663 1.852 -10.886 1.00 0.00 H new ATOM 0 HG23 ILE A 18 94.391 3.243 -11.962 1.00 0.00 H new ATOM 0 HD11 ILE A 18 93.826 6.621 -9.489 1.00 0.00 H new ATOM 0 HD12 ILE A 18 94.138 5.234 -8.419 1.00 0.00 H new ATOM 0 HD13 ILE A 18 95.015 5.384 -9.960 1.00 0.00 H new ATOM 291 N GLU A 19 91.924 0.317 -11.774 1.00 0.00 N ATOM 292 CA GLU A 19 91.924 -1.133 -11.732 1.00 0.00 C ATOM 293 C GLU A 19 93.148 -1.718 -12.417 1.00 0.00 C ATOM 294 O GLU A 19 93.355 -1.549 -13.623 1.00 0.00 O ATOM 295 CB GLU A 19 90.650 -1.690 -12.365 1.00 0.00 C ATOM 296 CG GLU A 19 90.500 -3.191 -12.193 1.00 0.00 C ATOM 297 CD GLU A 19 89.171 -3.706 -12.697 1.00 0.00 C ATOM 298 OE1 GLU A 19 88.190 -3.676 -11.930 1.00 0.00 O ATOM 299 OE2 GLU A 19 89.098 -4.144 -13.865 1.00 0.00 O ATOM 0 H GLU A 19 91.700 0.718 -12.685 1.00 0.00 H new ATOM 0 HA GLU A 19 91.957 -1.426 -10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 19 89.786 -1.193 -11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.647 -1.451 -13.428 1.00 0.00 H new ATOM 0 HG2 GLU A 19 91.306 -3.696 -12.725 1.00 0.00 H new ATOM 0 HG3 GLU A 19 90.607 -3.444 -11.138 1.00 0.00 H new ATOM 306 N LEU A 20 93.955 -2.402 -11.627 1.00 0.00 N ATOM 307 CA LEU A 20 95.082 -3.161 -12.134 1.00 0.00 C ATOM 308 C LEU A 20 94.633 -4.598 -12.342 1.00 0.00 C ATOM 309 O LEU A 20 93.436 -4.885 -12.281 1.00 0.00 O ATOM 310 CB LEU A 20 96.271 -3.113 -11.161 1.00 0.00 C ATOM 311 CG LEU A 20 97.020 -1.776 -11.084 1.00 0.00 C ATOM 312 CD1 LEU A 20 97.409 -1.302 -12.476 1.00 0.00 C ATOM 313 CD2 LEU A 20 96.193 -0.718 -10.368 1.00 0.00 C ATOM 0 H LEU A 20 93.847 -2.447 -10.614 1.00 0.00 H new ATOM 0 HA LEU A 20 95.415 -2.726 -13.076 1.00 0.00 H new ATOM 0 HB2 LEU A 20 95.910 -3.363 -10.163 1.00 0.00 H new ATOM 0 HB3 LEU A 20 96.981 -3.889 -11.447 1.00 0.00 H new ATOM 0 HG LEU A 20 97.929 -1.935 -10.504 1.00 0.00 H new ATOM 0 HD11 LEU A 20 97.939 -0.353 -12.402 1.00 0.00 H new ATOM 0 HD12 LEU A 20 98.056 -2.043 -12.945 1.00 0.00 H new ATOM 0 HD13 LEU A 20 96.511 -1.170 -13.080 1.00 0.00 H new ATOM 0 HD21 LEU A 20 96.752 0.217 -10.330 1.00 0.00 H new ATOM 0 HD22 LEU A 20 95.259 -0.561 -10.907 1.00 0.00 H new ATOM 0 HD23 LEU A 20 95.975 -1.052 -9.353 1.00 0.00 H new ATOM 325 N GLU A 21 95.572 -5.501 -12.571 1.00 0.00 N ATOM 326 CA GLU A 21 95.225 -6.895 -12.781 1.00 0.00 C ATOM 327 C GLU A 21 94.688 -7.508 -11.489 1.00 0.00 C ATOM 328 O GLU A 21 95.452 -7.857 -10.586 1.00 0.00 O ATOM 329 CB GLU A 21 96.429 -7.674 -13.302 1.00 0.00 C ATOM 330 CG GLU A 21 96.116 -9.115 -13.659 1.00 0.00 C ATOM 331 CD GLU A 21 97.237 -9.771 -14.428 1.00 0.00 C ATOM 332 OE1 GLU A 21 98.213 -10.225 -13.797 1.00 0.00 O ATOM 333 OE2 GLU A 21 97.148 -9.835 -15.673 1.00 0.00 O ATOM 0 H GLU A 21 96.570 -5.296 -12.616 1.00 0.00 H new ATOM 0 HA GLU A 21 94.439 -6.951 -13.535 1.00 0.00 H new ATOM 0 HB2 GLU A 21 96.824 -7.168 -14.183 1.00 0.00 H new ATOM 0 HB3 GLU A 21 97.215 -7.659 -12.547 1.00 0.00 H new ATOM 0 HG2 GLU A 21 95.925 -9.680 -12.747 1.00 0.00 H new ATOM 0 HG3 GLU A 21 95.202 -9.150 -14.252 1.00 0.00 H new ATOM 340 N ASN A 22 93.361 -7.595 -11.410 1.00 0.00 N ATOM 341 CA ASN A 22 92.662 -8.123 -10.238 1.00 0.00 C ATOM 342 C ASN A 22 92.923 -7.271 -9.001 1.00 0.00 C ATOM 343 O ASN A 22 92.948 -7.772 -7.878 1.00 0.00 O ATOM 344 CB ASN A 22 93.029 -9.590 -9.993 1.00 0.00 C ATOM 345 CG ASN A 22 92.297 -10.519 -10.944 1.00 0.00 C ATOM 346 OD1 ASN A 22 91.179 -10.230 -11.372 1.00 0.00 O ATOM 347 ND2 ASN A 22 92.920 -11.632 -11.293 1.00 0.00 N ATOM 0 H ASN A 22 92.737 -7.300 -12.161 1.00 0.00 H new ATOM 0 HA ASN A 22 91.592 -8.077 -10.443 1.00 0.00 H new ATOM 0 HB2 ASN A 22 94.104 -9.721 -10.113 1.00 0.00 H new ATOM 0 HB3 ASN A 22 92.788 -9.858 -8.965 1.00 0.00 H new ATOM 0 HD21 ASN A 22 92.475 -12.285 -11.938 1.00 0.00 H new ATOM 0 HD22 ASN A 22 93.846 -11.837 -10.918 1.00 0.00 H new ATOM 354 N GLU A 23 93.089 -5.973 -9.217 1.00 0.00 N ATOM 355 CA GLU A 23 93.222 -5.025 -8.119 1.00 0.00 C ATOM 356 C GLU A 23 92.439 -3.755 -8.396 1.00 0.00 C ATOM 357 O GLU A 23 92.783 -2.984 -9.288 1.00 0.00 O ATOM 358 CB GLU A 23 94.686 -4.665 -7.870 1.00 0.00 C ATOM 359 CG GLU A 23 95.406 -5.624 -6.945 1.00 0.00 C ATOM 360 CD GLU A 23 96.763 -5.104 -6.528 1.00 0.00 C ATOM 361 OE1 GLU A 23 96.864 -3.905 -6.187 1.00 0.00 O ATOM 362 OE2 GLU A 23 97.733 -5.889 -6.537 1.00 0.00 O ATOM 0 H GLU A 23 93.135 -5.552 -10.145 1.00 0.00 H new ATOM 0 HA GLU A 23 92.819 -5.510 -7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.210 -4.635 -8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 23 94.736 -3.662 -7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 23 94.797 -5.797 -6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 23 95.525 -6.586 -7.443 1.00 0.00 H new ATOM 369 N ILE A 24 91.410 -3.521 -7.605 1.00 0.00 N ATOM 370 CA ILE A 24 90.607 -2.321 -7.742 1.00 0.00 C ATOM 371 C ILE A 24 91.033 -1.300 -6.699 1.00 0.00 C ATOM 372 O ILE A 24 90.743 -1.451 -5.518 1.00 0.00 O ATOM 373 CB ILE A 24 89.100 -2.620 -7.584 1.00 0.00 C ATOM 374 CG1 ILE A 24 88.653 -3.666 -8.611 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.284 -1.341 -7.736 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.192 -4.055 -8.495 1.00 0.00 C ATOM 0 H ILE A 24 91.110 -4.148 -6.859 1.00 0.00 H new ATOM 0 HA ILE A 24 90.768 -1.924 -8.744 1.00 0.00 H new ATOM 0 HB ILE A 24 88.929 -3.021 -6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 24 88.837 -3.279 -9.613 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.267 -4.559 -8.496 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.224 -1.570 -7.622 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.585 -0.624 -6.972 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.459 -0.913 -8.723 1.00 0.00 H new ATOM 0 HD11 ILE A 24 86.952 -4.799 -9.255 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.004 -4.473 -7.506 1.00 0.00 H new ATOM 0 HD13 ILE A 24 86.568 -3.173 -8.640 1.00 0.00 H new ATOM 388 N HIS A 25 91.760 -0.286 -7.125 1.00 0.00 N ATOM 389 CA HIS A 25 92.209 0.749 -6.209 1.00 0.00 C ATOM 390 C HIS A 25 91.188 1.876 -6.155 1.00 0.00 C ATOM 391 O HIS A 25 90.976 2.589 -7.140 1.00 0.00 O ATOM 392 CB HIS A 25 93.592 1.276 -6.610 1.00 0.00 C ATOM 393 CG HIS A 25 94.703 0.298 -6.351 1.00 0.00 C ATOM 394 ND1 HIS A 25 95.688 0.511 -5.413 1.00 0.00 N ATOM 395 CD2 HIS A 25 94.986 -0.903 -6.919 1.00 0.00 C ATOM 396 CE1 HIS A 25 96.525 -0.511 -5.412 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.123 -1.385 -6.314 1.00 0.00 N ATOM 0 H HIS A 25 92.052 -0.155 -8.093 1.00 0.00 H new ATOM 0 HA HIS A 25 92.300 0.316 -5.213 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.582 1.530 -7.670 1.00 0.00 H new ATOM 0 HB3 HIS A 25 93.794 2.197 -6.063 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.422 -1.389 -7.701 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.393 -0.614 -4.778 1.00 0.00 H new ATOM 0 HE2 HIS A 25 96.580 -2.272 -6.528 1.00 0.00 H new ATOM 406 N LEU A 26 90.543 2.007 -5.006 1.00 0.00 N ATOM 407 CA LEU A 26 89.479 2.981 -4.824 1.00 0.00 C ATOM 408 C LEU A 26 89.969 4.208 -4.076 1.00 0.00 C ATOM 409 O LEU A 26 91.154 4.342 -3.770 1.00 0.00 O ATOM 410 CB LEU A 26 88.307 2.362 -4.056 1.00 0.00 C ATOM 411 CG LEU A 26 87.469 1.356 -4.839 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.351 0.802 -3.969 1.00 0.00 C ATOM 413 CD2 LEU A 26 86.896 2.008 -6.086 1.00 0.00 C ATOM 0 H LEU A 26 90.741 1.445 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 26 89.148 3.285 -5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 26 88.698 1.869 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.654 3.165 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 26 88.112 0.529 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.763 0.086 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 26 86.780 0.304 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 26 85.708 1.618 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.300 1.280 -6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.266 2.850 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 26 87.710 2.362 -6.718 1.00 0.00 H new ATOM 425 N LYS A 27 89.037 5.100 -3.792 1.00 0.00 N ATOM 426 CA LYS A 27 89.322 6.295 -3.026 1.00 0.00 C ATOM 427 C LYS A 27 88.989 6.047 -1.558 1.00 0.00 C ATOM 428 O LYS A 27 88.032 5.333 -1.254 1.00 0.00 O ATOM 429 CB LYS A 27 88.509 7.473 -3.569 1.00 0.00 C ATOM 430 CG LYS A 27 88.741 7.743 -5.048 1.00 0.00 C ATOM 431 CD LYS A 27 87.908 8.918 -5.532 1.00 0.00 C ATOM 432 CE LYS A 27 88.098 9.174 -7.018 1.00 0.00 C ATOM 433 NZ LYS A 27 87.604 8.048 -7.851 1.00 0.00 N ATOM 0 H LYS A 27 88.064 5.015 -4.086 1.00 0.00 H new ATOM 0 HA LYS A 27 90.381 6.539 -3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.449 7.278 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 27 88.759 8.369 -3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 27 89.798 7.948 -5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.490 6.854 -5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.855 8.724 -5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 27 88.182 9.812 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 27 87.573 10.087 -7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 27 89.156 9.339 -7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 88.139 8.015 -8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 87.732 7.153 -7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.594 8.187 -8.059 1.00 0.00 H new ATOM 447 N PRO A 28 89.787 6.626 -0.642 1.00 0.00 N ATOM 448 CA PRO A 28 89.660 6.420 0.806 1.00 0.00 C ATOM 449 C PRO A 28 88.215 6.410 1.320 1.00 0.00 C ATOM 450 O PRO A 28 87.818 5.495 2.043 1.00 0.00 O ATOM 451 CB PRO A 28 90.432 7.601 1.417 1.00 0.00 C ATOM 452 CG PRO A 28 91.023 8.372 0.276 1.00 0.00 C ATOM 453 CD PRO A 28 90.910 7.515 -0.951 1.00 0.00 C ATOM 0 HA PRO A 28 90.045 5.438 1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 28 89.768 8.233 2.007 1.00 0.00 H new ATOM 0 HB3 PRO A 28 91.213 7.245 2.089 1.00 0.00 H new ATOM 0 HG2 PRO A 28 90.495 9.315 0.136 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.066 8.618 0.478 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.716 8.112 -1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.827 6.955 -1.136 1.00 0.00 H new ATOM 461 N GLU A 29 87.432 7.413 0.943 1.00 0.00 N ATOM 462 CA GLU A 29 86.074 7.548 1.464 1.00 0.00 C ATOM 463 C GLU A 29 85.149 6.490 0.870 1.00 0.00 C ATOM 464 O GLU A 29 84.323 5.907 1.573 1.00 0.00 O ATOM 465 CB GLU A 29 85.530 8.949 1.179 1.00 0.00 C ATOM 466 CG GLU A 29 84.151 9.201 1.767 1.00 0.00 C ATOM 467 CD GLU A 29 83.655 10.603 1.489 1.00 0.00 C ATOM 468 OE1 GLU A 29 83.023 10.816 0.434 1.00 0.00 O ATOM 469 OE2 GLU A 29 83.896 11.498 2.326 1.00 0.00 O ATOM 0 H GLU A 29 87.709 8.140 0.284 1.00 0.00 H new ATOM 0 HA GLU A 29 86.111 7.398 2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 29 86.226 9.687 1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 29 85.488 9.100 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 29 83.445 8.480 1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 29 84.182 9.036 2.844 1.00 0.00 H new ATOM 476 N VAL A 30 85.309 6.237 -0.420 1.00 0.00 N ATOM 477 CA VAL A 30 84.469 5.275 -1.124 1.00 0.00 C ATOM 478 C VAL A 30 84.732 3.860 -0.618 1.00 0.00 C ATOM 479 O VAL A 30 83.805 3.073 -0.427 1.00 0.00 O ATOM 480 CB VAL A 30 84.709 5.344 -2.647 1.00 0.00 C ATOM 481 CG1 VAL A 30 83.803 4.373 -3.390 1.00 0.00 C ATOM 482 CG2 VAL A 30 84.498 6.765 -3.147 1.00 0.00 C ATOM 0 H VAL A 30 86.015 6.685 -1.004 1.00 0.00 H new ATOM 0 HA VAL A 30 83.428 5.532 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 30 85.741 5.052 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 30 83.994 4.444 -4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 30 84.004 3.356 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 30 82.761 4.622 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 30 84.670 6.802 -4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.476 7.078 -2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.196 7.435 -2.645 1.00 0.00 H new ATOM 492 N PHE A 31 86.002 3.556 -0.381 1.00 0.00 N ATOM 493 CA PHE A 31 86.404 2.261 0.154 1.00 0.00 C ATOM 494 C PHE A 31 85.742 2.014 1.506 1.00 0.00 C ATOM 495 O PHE A 31 85.284 0.909 1.794 1.00 0.00 O ATOM 496 CB PHE A 31 87.926 2.211 0.293 1.00 0.00 C ATOM 497 CG PHE A 31 88.461 0.915 0.839 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.678 -0.170 0.004 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.763 0.788 2.185 1.00 0.00 C ATOM 500 CE1 PHE A 31 89.182 -1.355 0.504 1.00 0.00 C ATOM 501 CE2 PHE A 31 89.267 -0.393 2.689 1.00 0.00 C ATOM 502 CZ PHE A 31 89.478 -1.467 1.847 1.00 0.00 C ATOM 0 H PHE A 31 86.778 4.195 -0.553 1.00 0.00 H new ATOM 0 HA PHE A 31 86.082 1.479 -0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.373 2.391 -0.685 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.246 3.024 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 31 88.451 -0.088 -1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.602 1.625 2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 31 89.344 -2.194 -0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.496 -0.478 3.741 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.874 -2.392 2.239 1.00 0.00 H new ATOM 512 N TYR A 32 85.678 3.064 2.315 1.00 0.00 N ATOM 513 CA TYR A 32 85.086 2.994 3.646 1.00 0.00 C ATOM 514 C TYR A 32 83.610 2.601 3.570 1.00 0.00 C ATOM 515 O TYR A 32 83.092 1.910 4.448 1.00 0.00 O ATOM 516 CB TYR A 32 85.250 4.348 4.345 1.00 0.00 C ATOM 517 CG TYR A 32 84.658 4.418 5.736 1.00 0.00 C ATOM 518 CD1 TYR A 32 84.897 3.418 6.670 1.00 0.00 C ATOM 519 CD2 TYR A 32 83.860 5.490 6.115 1.00 0.00 C ATOM 520 CE1 TYR A 32 84.357 3.484 7.939 1.00 0.00 C ATOM 521 CE2 TYR A 32 83.319 5.564 7.384 1.00 0.00 C ATOM 522 CZ TYR A 32 83.571 4.558 8.292 1.00 0.00 C ATOM 523 OH TYR A 32 83.037 4.630 9.560 1.00 0.00 O ATOM 0 H TYR A 32 86.034 3.987 2.068 1.00 0.00 H new ATOM 0 HA TYR A 32 85.601 2.226 4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.312 4.584 4.405 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.786 5.118 3.729 1.00 0.00 H new ATOM 0 HD1 TYR A 32 85.515 2.575 6.399 1.00 0.00 H new ATOM 0 HD2 TYR A 32 83.659 6.279 5.405 1.00 0.00 H new ATOM 0 HE1 TYR A 32 84.550 2.696 8.652 1.00 0.00 H new ATOM 0 HE2 TYR A 32 82.702 6.405 7.663 1.00 0.00 H new ATOM 0 HH TYR A 32 83.661 5.100 10.152 1.00 0.00 H new ATOM 533 N GLU A 33 82.944 3.030 2.509 1.00 0.00 N ATOM 534 CA GLU A 33 81.529 2.736 2.327 1.00 0.00 C ATOM 535 C GLU A 33 81.332 1.322 1.784 1.00 0.00 C ATOM 536 O GLU A 33 80.464 0.581 2.253 1.00 0.00 O ATOM 537 CB GLU A 33 80.899 3.761 1.384 1.00 0.00 C ATOM 538 CG GLU A 33 81.091 5.202 1.834 1.00 0.00 C ATOM 539 CD GLU A 33 80.423 5.504 3.162 1.00 0.00 C ATOM 540 OE1 GLU A 33 81.051 5.288 4.222 1.00 0.00 O ATOM 541 OE2 GLU A 33 79.270 5.977 3.154 1.00 0.00 O ATOM 0 H GLU A 33 83.360 3.583 1.760 1.00 0.00 H new ATOM 0 HA GLU A 33 81.036 2.797 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.329 3.639 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 33 79.832 3.555 1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 33 82.157 5.412 1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 33 80.691 5.871 1.072 1.00 0.00 H new ATOM 548 N VAL A 34 82.149 0.943 0.803 1.00 0.00 N ATOM 549 CA VAL A 34 82.064 -0.386 0.202 1.00 0.00 C ATOM 550 C VAL A 34 82.432 -1.460 1.224 1.00 0.00 C ATOM 551 O VAL A 34 81.883 -2.560 1.208 1.00 0.00 O ATOM 552 CB VAL A 34 82.975 -0.518 -1.041 1.00 0.00 C ATOM 553 CG1 VAL A 34 82.840 -1.897 -1.677 1.00 0.00 C ATOM 554 CG2 VAL A 34 82.652 0.567 -2.057 1.00 0.00 C ATOM 0 H VAL A 34 82.877 1.538 0.408 1.00 0.00 H new ATOM 0 HA VAL A 34 81.032 -0.527 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 34 84.008 -0.395 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 34 83.492 -1.961 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.125 -2.661 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 34 81.806 -2.056 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.303 0.458 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 34 81.612 0.475 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 34 82.810 1.547 -1.606 1.00 0.00 H new ATOM 564 N TRP A 35 83.351 -1.118 2.123 1.00 0.00 N ATOM 565 CA TRP A 35 83.756 -2.007 3.209 1.00 0.00 C ATOM 566 C TRP A 35 82.543 -2.495 4.002 1.00 0.00 C ATOM 567 O TRP A 35 82.461 -3.663 4.375 1.00 0.00 O ATOM 568 CB TRP A 35 84.741 -1.270 4.123 1.00 0.00 C ATOM 569 CG TRP A 35 85.023 -1.963 5.423 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.582 -3.194 5.599 1.00 0.00 C ATOM 571 CD2 TRP A 35 84.768 -1.444 6.730 1.00 0.00 C ATOM 572 NE1 TRP A 35 85.691 -3.474 6.941 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.200 -2.413 7.655 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.219 -0.251 7.208 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.096 -2.224 9.031 1.00 0.00 C ATOM 576 CZ3 TRP A 35 84.115 -0.064 8.572 1.00 0.00 C ATOM 577 CH2 TRP A 35 84.554 -1.046 9.472 1.00 0.00 C ATOM 0 H TRP A 35 83.835 -0.220 2.120 1.00 0.00 H new ATOM 0 HA TRP A 35 84.244 -2.885 2.786 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.681 -1.133 3.588 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.347 -0.276 4.334 1.00 0.00 H new ATOM 0 HD1 TRP A 35 85.893 -3.853 4.802 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.075 -4.331 7.339 1.00 0.00 H new ATOM 0 HE3 TRP A 35 83.882 0.512 6.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 85.431 -2.980 9.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 83.689 0.853 8.952 1.00 0.00 H new ATOM 0 HH2 TRP A 35 84.463 -0.870 10.534 1.00 0.00 H new ATOM 588 N LYS A 36 81.595 -1.601 4.231 1.00 0.00 N ATOM 589 CA LYS A 36 80.376 -1.942 4.952 1.00 0.00 C ATOM 590 C LYS A 36 79.496 -2.856 4.102 1.00 0.00 C ATOM 591 O LYS A 36 78.868 -3.789 4.606 1.00 0.00 O ATOM 592 CB LYS A 36 79.609 -0.667 5.296 1.00 0.00 C ATOM 593 CG LYS A 36 80.452 0.380 6.003 1.00 0.00 C ATOM 594 CD LYS A 36 79.772 1.735 5.979 1.00 0.00 C ATOM 595 CE LYS A 36 80.648 2.815 6.589 1.00 0.00 C ATOM 596 NZ LYS A 36 80.074 4.169 6.379 1.00 0.00 N ATOM 0 H LYS A 36 81.645 -0.629 3.927 1.00 0.00 H new ATOM 0 HA LYS A 36 80.644 -2.465 5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 36 79.206 -0.237 4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 36 78.759 -0.924 5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 36 80.626 0.075 7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 36 81.428 0.451 5.523 1.00 0.00 H new ATOM 0 HD2 LYS A 36 79.529 2.002 4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 36 78.830 1.679 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 36 80.764 2.630 7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 36 81.644 2.769 6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 80.662 4.694 5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 79.107 4.082 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 80.051 4.680 7.284 1.00 0.00 H new ATOM 610 N TYR A 37 79.488 -2.595 2.799 1.00 0.00 N ATOM 611 CA TYR A 37 78.615 -3.301 1.867 1.00 0.00 C ATOM 612 C TYR A 37 79.092 -4.737 1.627 1.00 0.00 C ATOM 613 O TYR A 37 78.282 -5.633 1.392 1.00 0.00 O ATOM 614 CB TYR A 37 78.536 -2.522 0.547 1.00 0.00 C ATOM 615 CG TYR A 37 77.647 -3.154 -0.503 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.362 -3.582 -0.193 1.00 0.00 C ATOM 617 CD2 TYR A 37 78.094 -3.315 -1.808 1.00 0.00 C ATOM 618 CE1 TYR A 37 75.552 -4.159 -1.152 1.00 0.00 C ATOM 619 CE2 TYR A 37 77.289 -3.889 -2.773 1.00 0.00 C ATOM 620 CZ TYR A 37 76.020 -4.311 -2.440 1.00 0.00 C ATOM 621 OH TYR A 37 75.217 -4.891 -3.396 1.00 0.00 O ATOM 0 H TYR A 37 80.083 -1.892 2.361 1.00 0.00 H new ATOM 0 HA TYR A 37 77.619 -3.364 2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 37 78.172 -1.516 0.755 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.542 -2.420 0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.990 -3.462 0.814 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.088 -2.986 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 37 74.557 -4.490 -0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 37 77.652 -4.006 -3.783 1.00 0.00 H new ATOM 0 HH TYR A 37 75.696 -4.922 -4.250 1.00 0.00 H new ATOM 631 N VAL A 38 80.401 -4.960 1.709 1.00 0.00 N ATOM 632 CA VAL A 38 80.958 -6.297 1.492 1.00 0.00 C ATOM 633 C VAL A 38 80.706 -7.206 2.694 1.00 0.00 C ATOM 634 O VAL A 38 81.065 -8.382 2.683 1.00 0.00 O ATOM 635 CB VAL A 38 82.479 -6.264 1.195 1.00 0.00 C ATOM 636 CG1 VAL A 38 82.780 -5.363 0.013 1.00 0.00 C ATOM 637 CG2 VAL A 38 83.273 -5.823 2.412 1.00 0.00 C ATOM 0 H VAL A 38 81.092 -4.241 1.922 1.00 0.00 H new ATOM 0 HA VAL A 38 80.445 -6.696 0.617 1.00 0.00 H new ATOM 0 HB VAL A 38 82.785 -7.280 0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 38 83.854 -5.357 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.259 -5.734 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.444 -4.350 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 38 84.335 -5.811 2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.958 -4.823 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 38 83.097 -6.518 3.233 1.00 0.00 H new ATOM 647 N GLY A 39 80.086 -6.655 3.730 1.00 0.00 N ATOM 648 CA GLY A 39 79.801 -7.428 4.922 1.00 0.00 C ATOM 649 C GLY A 39 80.525 -6.884 6.133 1.00 0.00 C ATOM 650 O GLY A 39 80.261 -7.301 7.261 1.00 0.00 O ATOM 0 H GLY A 39 79.775 -5.684 3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.727 -7.424 5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 39 80.093 -8.466 4.760 1.00 0.00 H new ATOM 654 N GLU A 40 81.431 -5.944 5.885 1.00 0.00 N ATOM 655 CA GLU A 40 82.222 -5.310 6.938 1.00 0.00 C ATOM 656 C GLU A 40 83.041 -6.351 7.719 1.00 0.00 C ATOM 657 O GLU A 40 82.806 -6.584 8.907 1.00 0.00 O ATOM 658 CB GLU A 40 81.306 -4.511 7.875 1.00 0.00 C ATOM 659 CG GLU A 40 82.049 -3.594 8.828 1.00 0.00 C ATOM 660 CD GLU A 40 81.121 -2.857 9.766 1.00 0.00 C ATOM 661 OE1 GLU A 40 80.639 -1.766 9.405 1.00 0.00 O ATOM 662 OE2 GLU A 40 80.868 -3.369 10.878 1.00 0.00 O ATOM 0 H GLU A 40 81.639 -5.599 4.948 1.00 0.00 H new ATOM 0 HA GLU A 40 82.928 -4.622 6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 40 80.619 -3.915 7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.700 -5.207 8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 40 82.759 -4.180 9.411 1.00 0.00 H new ATOM 0 HG3 GLU A 40 82.628 -2.871 8.254 1.00 0.00 H new ATOM 669 N PRO A 41 83.999 -7.014 7.048 1.00 0.00 N ATOM 670 CA PRO A 41 84.855 -8.014 7.660 1.00 0.00 C ATOM 671 C PRO A 41 86.212 -7.442 8.065 1.00 0.00 C ATOM 672 O PRO A 41 86.441 -6.231 7.969 1.00 0.00 O ATOM 673 CB PRO A 41 85.017 -9.016 6.522 1.00 0.00 C ATOM 674 CG PRO A 41 84.983 -8.186 5.271 1.00 0.00 C ATOM 675 CD PRO A 41 84.324 -6.867 5.622 1.00 0.00 C ATOM 0 HA PRO A 41 84.442 -8.428 8.580 1.00 0.00 H new ATOM 0 HB2 PRO A 41 85.956 -9.563 6.608 1.00 0.00 H new ATOM 0 HB3 PRO A 41 84.215 -9.755 6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 41 85.991 -8.022 4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 41 84.426 -8.697 4.486 1.00 0.00 H new ATOM 0 HD2 PRO A 41 84.994 -6.025 5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.430 -6.693 5.023 1.00 0.00 H new ATOM 683 N GLU A 42 87.114 -8.311 8.506 1.00 0.00 N ATOM 684 CA GLU A 42 88.464 -7.889 8.837 1.00 0.00 C ATOM 685 C GLU A 42 89.285 -7.741 7.564 1.00 0.00 C ATOM 686 O GLU A 42 89.501 -8.709 6.829 1.00 0.00 O ATOM 687 CB GLU A 42 89.128 -8.880 9.796 1.00 0.00 C ATOM 688 CG GLU A 42 88.406 -9.009 11.129 1.00 0.00 C ATOM 689 CD GLU A 42 89.151 -9.884 12.113 1.00 0.00 C ATOM 690 OE1 GLU A 42 89.090 -11.121 11.984 1.00 0.00 O ATOM 691 OE2 GLU A 42 89.804 -9.335 13.027 1.00 0.00 O ATOM 0 H GLU A 42 86.934 -9.306 8.641 1.00 0.00 H new ATOM 0 HA GLU A 42 88.414 -6.923 9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 42 89.174 -9.859 9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 42 90.156 -8.565 9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 42 88.269 -8.018 11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 42 87.412 -9.423 10.961 1.00 0.00 H new ATOM 698 N LEU A 43 89.716 -6.520 7.298 1.00 0.00 N ATOM 699 CA LEU A 43 90.452 -6.206 6.085 1.00 0.00 C ATOM 700 C LEU A 43 91.888 -6.709 6.166 1.00 0.00 C ATOM 701 O LEU A 43 92.436 -6.891 7.256 1.00 0.00 O ATOM 702 CB LEU A 43 90.436 -4.700 5.847 1.00 0.00 C ATOM 703 CG LEU A 43 89.056 -4.101 5.583 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.133 -2.585 5.533 1.00 0.00 C ATOM 705 CD2 LEU A 43 88.483 -4.646 4.286 1.00 0.00 C ATOM 0 H LEU A 43 89.567 -5.721 7.914 1.00 0.00 H new ATOM 0 HA LEU A 43 89.966 -6.710 5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 43 90.869 -4.206 6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.081 -4.475 4.998 1.00 0.00 H new ATOM 0 HG LEU A 43 88.394 -4.384 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.140 -2.176 5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.505 -2.208 6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 43 89.809 -2.281 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 43 87.499 -4.210 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.146 -4.390 3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 43 88.392 -5.730 4.355 1.00 0.00 H new ATOM 717 N LYS A 44 92.497 -6.918 5.010 1.00 0.00 N ATOM 718 CA LYS A 44 93.848 -7.443 4.942 1.00 0.00 C ATOM 719 C LYS A 44 94.801 -6.356 4.460 1.00 0.00 C ATOM 720 O LYS A 44 94.544 -5.693 3.457 1.00 0.00 O ATOM 721 CB LYS A 44 93.885 -8.663 4.018 1.00 0.00 C ATOM 722 CG LYS A 44 95.179 -9.458 4.083 1.00 0.00 C ATOM 723 CD LYS A 44 95.016 -10.820 3.425 1.00 0.00 C ATOM 724 CE LYS A 44 96.279 -11.658 3.540 1.00 0.00 C ATOM 725 NZ LYS A 44 97.378 -11.142 2.684 1.00 0.00 N ATOM 0 H LYS A 44 92.073 -6.730 4.102 1.00 0.00 H new ATOM 0 HA LYS A 44 94.168 -7.759 5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 44 93.054 -9.322 4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 44 93.727 -8.332 2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 44 95.976 -8.904 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 44 95.479 -9.586 5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 44 94.184 -11.350 3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 44 94.762 -10.687 2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 44 96.608 -11.675 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 44 96.056 -12.688 3.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 97.850 -11.937 2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 96.987 -10.495 1.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 98.067 -10.632 3.273 1.00 0.00 H new ATOM 739 N THR A 45 95.886 -6.161 5.191 1.00 0.00 N ATOM 740 CA THR A 45 96.824 -5.094 4.891 1.00 0.00 C ATOM 741 C THR A 45 98.137 -5.639 4.338 1.00 0.00 C ATOM 742 O THR A 45 98.547 -6.754 4.671 1.00 0.00 O ATOM 743 CB THR A 45 97.104 -4.245 6.147 1.00 0.00 C ATOM 744 OG1 THR A 45 97.278 -5.093 7.293 1.00 0.00 O ATOM 745 CG2 THR A 45 95.970 -3.268 6.408 1.00 0.00 C ATOM 0 H THR A 45 96.139 -6.730 5.999 1.00 0.00 H new ATOM 0 HA THR A 45 96.365 -4.466 4.127 1.00 0.00 H new ATOM 0 HB THR A 45 98.019 -3.680 5.971 1.00 0.00 H new ATOM 0 HG1 THR A 45 97.457 -4.542 8.083 1.00 0.00 H new ATOM 0 HG21 THR A 45 96.193 -2.682 7.299 1.00 0.00 H new ATOM 0 HG22 THR A 45 95.860 -2.601 5.553 1.00 0.00 H new ATOM 0 HG23 THR A 45 95.042 -3.820 6.559 1.00 0.00 H new ATOM 753 N TYR A 46 98.784 -4.858 3.485 1.00 0.00 N ATOM 754 CA TYR A 46 100.081 -5.231 2.937 1.00 0.00 C ATOM 755 C TYR A 46 101.017 -4.032 2.994 1.00 0.00 C ATOM 756 O TYR A 46 100.562 -2.891 3.088 1.00 0.00 O ATOM 757 CB TYR A 46 99.945 -5.731 1.491 1.00 0.00 C ATOM 758 CG TYR A 46 99.683 -4.638 0.476 1.00 0.00 C ATOM 759 CD1 TYR A 46 98.404 -4.143 0.268 1.00 0.00 C ATOM 760 CD2 TYR A 46 100.723 -4.106 -0.278 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.169 -3.148 -0.658 1.00 0.00 C ATOM 762 CE2 TYR A 46 100.495 -3.110 -1.204 1.00 0.00 C ATOM 763 CZ TYR A 46 99.216 -2.634 -1.392 1.00 0.00 C ATOM 764 OH TYR A 46 98.985 -1.640 -2.316 1.00 0.00 O ATOM 0 H TYR A 46 98.431 -3.959 3.156 1.00 0.00 H new ATOM 0 HA TYR A 46 100.493 -6.044 3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 46 100.858 -6.257 1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.133 -6.456 1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 46 97.580 -4.543 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 46 101.726 -4.479 -0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.167 -2.773 -0.807 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.315 -2.705 -1.779 1.00 0.00 H new ATOM 0 HH TYR A 46 99.830 -1.390 -2.745 1.00 0.00 H new ATOM 774 N VAL A 47 102.312 -4.285 2.930 1.00 0.00 N ATOM 775 CA VAL A 47 103.295 -3.219 3.032 1.00 0.00 C ATOM 776 C VAL A 47 104.021 -3.020 1.707 1.00 0.00 C ATOM 777 O VAL A 47 104.650 -3.941 1.185 1.00 0.00 O ATOM 778 CB VAL A 47 104.332 -3.505 4.142 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.316 -2.350 4.271 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.639 -3.764 5.472 1.00 0.00 C ATOM 0 H VAL A 47 102.708 -5.217 2.808 1.00 0.00 H new ATOM 0 HA VAL A 47 102.751 -2.310 3.288 1.00 0.00 H new ATOM 0 HB VAL A 47 104.888 -4.400 3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 47 106.037 -2.572 5.058 1.00 0.00 H new ATOM 0 HG12 VAL A 47 105.841 -2.212 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 47 104.775 -1.437 4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 47 104.387 -3.963 6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 47 103.054 -2.889 5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 47 102.979 -4.626 5.377 1.00 0.00 H new ATOM 790 N ILE A 48 103.915 -1.821 1.158 1.00 0.00 N ATOM 791 CA ILE A 48 104.650 -1.466 -0.041 1.00 0.00 C ATOM 792 C ILE A 48 105.729 -0.444 0.305 1.00 0.00 C ATOM 793 O ILE A 48 105.438 0.666 0.754 1.00 0.00 O ATOM 794 CB ILE A 48 103.720 -0.930 -1.163 1.00 0.00 C ATOM 795 CG1 ILE A 48 104.544 -0.460 -2.367 1.00 0.00 C ATOM 796 CG2 ILE A 48 102.821 0.190 -0.655 1.00 0.00 C ATOM 797 CD1 ILE A 48 103.702 0.043 -3.523 1.00 0.00 C ATOM 0 H ILE A 48 103.324 -1.076 1.527 1.00 0.00 H new ATOM 0 HA ILE A 48 105.118 -2.370 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 48 103.077 -1.750 -1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 48 105.218 0.335 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 48 105.166 -1.285 -2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 48 102.184 0.541 -1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 48 102.200 -0.183 0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 48 103.436 1.014 -0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 48 104.354 0.358 -4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 48 103.047 -0.756 -3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 48 103.099 0.889 -3.193 1.00 0.00 H new ATOM 809 N GLU A 49 106.977 -0.843 0.135 1.00 0.00 N ATOM 810 CA GLU A 49 108.101 0.013 0.467 1.00 0.00 C ATOM 811 C GLU A 49 108.583 0.751 -0.769 1.00 0.00 C ATOM 812 O GLU A 49 108.993 0.132 -1.753 1.00 0.00 O ATOM 813 CB GLU A 49 109.251 -0.807 1.053 1.00 0.00 C ATOM 814 CG GLU A 49 108.882 -1.566 2.314 1.00 0.00 C ATOM 815 CD GLU A 49 110.044 -2.365 2.861 1.00 0.00 C ATOM 816 OE1 GLU A 49 110.834 -1.810 3.652 1.00 0.00 O ATOM 817 OE2 GLU A 49 110.176 -3.553 2.499 1.00 0.00 O ATOM 0 H GLU A 49 107.238 -1.758 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 49 107.768 0.736 1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 49 109.599 -1.516 0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 49 110.085 -0.141 1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 49 108.538 -0.862 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 49 108.050 -2.237 2.102 1.00 0.00 H new ATOM 824 N ASP A 50 108.519 2.069 -0.720 1.00 0.00 N ATOM 825 CA ASP A 50 109.013 2.897 -1.808 1.00 0.00 C ATOM 826 C ASP A 50 110.094 3.829 -1.287 1.00 0.00 C ATOM 827 O ASP A 50 110.031 4.281 -0.145 1.00 0.00 O ATOM 828 CB ASP A 50 107.872 3.701 -2.439 1.00 0.00 C ATOM 829 CG ASP A 50 108.332 4.525 -3.627 1.00 0.00 C ATOM 830 OD1 ASP A 50 108.658 3.932 -4.678 1.00 0.00 O ATOM 831 OD2 ASP A 50 108.375 5.767 -3.515 1.00 0.00 O ATOM 0 H ASP A 50 108.129 2.592 0.064 1.00 0.00 H new ATOM 0 HA ASP A 50 109.436 2.252 -2.578 1.00 0.00 H new ATOM 0 HB2 ASP A 50 107.083 3.019 -2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 50 107.438 4.362 -1.688 1.00 0.00 H new ATOM 836 N GLU A 51 111.097 4.092 -2.102 1.00 0.00 N ATOM 837 CA GLU A 51 112.200 4.941 -1.687 1.00 0.00 C ATOM 838 C GLU A 51 112.067 6.324 -2.294 1.00 0.00 C ATOM 839 O GLU A 51 112.069 6.475 -3.517 1.00 0.00 O ATOM 840 CB GLU A 51 113.533 4.319 -2.093 1.00 0.00 C ATOM 841 CG GLU A 51 113.776 2.955 -1.478 1.00 0.00 C ATOM 842 CD GLU A 51 115.111 2.370 -1.874 1.00 0.00 C ATOM 843 OE1 GLU A 51 116.106 2.614 -1.164 1.00 0.00 O ATOM 844 OE2 GLU A 51 115.169 1.650 -2.887 1.00 0.00 O ATOM 0 H GLU A 51 111.172 3.732 -3.053 1.00 0.00 H new ATOM 0 HA GLU A 51 112.170 5.032 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 51 113.568 4.231 -3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 51 114.342 4.989 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 51 113.726 3.036 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 51 112.980 2.276 -1.784 1.00 0.00 H new ATOM 851 N ILE A 52 111.943 7.327 -1.442 1.00 0.00 N ATOM 852 CA ILE A 52 111.881 8.701 -1.905 1.00 0.00 C ATOM 853 C ILE A 52 113.272 9.147 -2.341 1.00 0.00 C ATOM 854 O ILE A 52 114.271 8.829 -1.688 1.00 0.00 O ATOM 855 CB ILE A 52 111.320 9.655 -0.818 1.00 0.00 C ATOM 856 CG1 ILE A 52 111.216 11.086 -1.357 1.00 0.00 C ATOM 857 CG2 ILE A 52 112.179 9.615 0.440 1.00 0.00 C ATOM 858 CD1 ILE A 52 110.608 12.065 -0.375 1.00 0.00 C ATOM 0 H ILE A 52 111.884 7.216 -0.430 1.00 0.00 H new ATOM 0 HA ILE A 52 111.196 8.746 -2.752 1.00 0.00 H new ATOM 0 HB ILE A 52 110.319 9.314 -0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 52 112.211 11.434 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 52 110.617 11.079 -2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 52 111.764 10.293 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.193 8.601 0.839 1.00 0.00 H new ATOM 0 HG23 ILE A 52 113.196 9.923 0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 52 110.567 13.056 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.599 11.742 -0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 52 111.219 12.102 0.527 1.00 0.00 H new ATOM 870 N VAL A 53 113.343 9.869 -3.444 1.00 0.00 N ATOM 871 CA VAL A 53 114.623 10.264 -3.998 1.00 0.00 C ATOM 872 C VAL A 53 115.069 11.607 -3.439 1.00 0.00 C ATOM 873 O VAL A 53 114.306 12.574 -3.408 1.00 0.00 O ATOM 874 CB VAL A 53 114.590 10.320 -5.542 1.00 0.00 C ATOM 875 CG1 VAL A 53 114.480 8.918 -6.122 1.00 0.00 C ATOM 876 CG2 VAL A 53 113.438 11.188 -6.037 1.00 0.00 C ATOM 0 H VAL A 53 112.532 10.192 -3.972 1.00 0.00 H new ATOM 0 HA VAL A 53 115.344 9.501 -3.704 1.00 0.00 H new ATOM 0 HB VAL A 53 115.523 10.770 -5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 53 114.458 8.975 -7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 53 115.339 8.326 -5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 53 113.564 8.447 -5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 53 113.440 11.209 -7.127 1.00 0.00 H new ATOM 0 HG22 VAL A 53 112.493 10.775 -5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 53 113.556 12.202 -5.655 1.00 0.00 H new ATOM 886 N GLU A 54 116.313 11.652 -2.992 1.00 0.00 N ATOM 887 CA GLU A 54 116.883 12.850 -2.402 1.00 0.00 C ATOM 888 C GLU A 54 117.478 13.736 -3.491 1.00 0.00 C ATOM 889 O GLU A 54 117.687 13.279 -4.617 1.00 0.00 O ATOM 890 CB GLU A 54 117.970 12.463 -1.399 1.00 0.00 C ATOM 891 CG GLU A 54 117.458 11.693 -0.192 1.00 0.00 C ATOM 892 CD GLU A 54 116.596 12.538 0.721 1.00 0.00 C ATOM 893 OE1 GLU A 54 117.006 13.669 1.065 1.00 0.00 O ATOM 894 OE2 GLU A 54 115.517 12.068 1.132 1.00 0.00 O ATOM 0 H GLU A 54 116.955 10.860 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 54 116.097 13.402 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 54 118.721 11.860 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 54 118.469 13.368 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 54 116.883 10.832 -0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 54 118.306 11.306 0.373 1.00 0.00 H new ATOM 901 N PRO A 55 117.722 15.022 -3.185 1.00 0.00 N ATOM 902 CA PRO A 55 118.380 15.940 -4.116 1.00 0.00 C ATOM 903 C PRO A 55 119.724 15.402 -4.598 1.00 0.00 C ATOM 904 O PRO A 55 120.636 15.166 -3.806 1.00 0.00 O ATOM 905 CB PRO A 55 118.573 17.216 -3.292 1.00 0.00 C ATOM 906 CG PRO A 55 117.521 17.148 -2.243 1.00 0.00 C ATOM 907 CD PRO A 55 117.359 15.689 -1.922 1.00 0.00 C ATOM 0 HA PRO A 55 117.792 16.094 -5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 55 119.569 17.257 -2.852 1.00 0.00 H new ATOM 0 HB3 PRO A 55 118.460 18.107 -3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 55 117.814 17.713 -1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 55 116.584 17.577 -2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 55 118.010 15.382 -1.103 1.00 0.00 H new ATOM 0 HD3 PRO A 55 116.338 15.454 -1.622 1.00 0.00 H new ATOM 915 N GLY A 56 119.830 15.211 -5.900 1.00 0.00 N ATOM 916 CA GLY A 56 121.046 14.693 -6.492 1.00 0.00 C ATOM 917 C GLY A 56 121.412 15.476 -7.727 1.00 0.00 C ATOM 918 O GLY A 56 121.775 14.912 -8.759 1.00 0.00 O ATOM 0 H GLY A 56 119.085 15.408 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 56 121.859 14.744 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 56 120.913 13.642 -6.748 1.00 0.00 H new ATOM 922 N GLU A 57 121.304 16.790 -7.602 1.00 0.00 N ATOM 923 CA GLU A 57 121.490 17.708 -8.715 1.00 0.00 C ATOM 924 C GLU A 57 122.952 17.770 -9.156 1.00 0.00 C ATOM 925 O GLU A 57 123.798 17.011 -8.678 1.00 0.00 O ATOM 926 CB GLU A 57 121.020 19.100 -8.297 1.00 0.00 C ATOM 927 CG GLU A 57 119.625 19.107 -7.693 1.00 0.00 C ATOM 928 CD GLU A 57 119.257 20.447 -7.096 1.00 0.00 C ATOM 929 OE1 GLU A 57 119.758 20.770 -6.000 1.00 0.00 O ATOM 930 OE2 GLU A 57 118.459 21.180 -7.715 1.00 0.00 O ATOM 0 H GLU A 57 121.083 17.252 -6.720 1.00 0.00 H new ATOM 0 HA GLU A 57 120.903 17.347 -9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 57 121.724 19.512 -7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 57 121.035 19.757 -9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 57 118.899 18.844 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 57 119.563 18.340 -6.921 1.00 0.00 H new ATOM 937 N TYR A 58 123.236 18.695 -10.068 1.00 0.00 N ATOM 938 CA TYR A 58 124.584 18.888 -10.588 1.00 0.00 C ATOM 939 C TYR A 58 125.509 19.380 -9.479 1.00 0.00 C ATOM 940 O TYR A 58 126.719 19.150 -9.505 1.00 0.00 O ATOM 941 CB TYR A 58 124.545 19.900 -11.736 1.00 0.00 C ATOM 942 CG TYR A 58 125.747 19.854 -12.651 1.00 0.00 C ATOM 943 CD1 TYR A 58 125.811 18.931 -13.685 1.00 0.00 C ATOM 944 CD2 TYR A 58 126.803 20.744 -12.499 1.00 0.00 C ATOM 945 CE1 TYR A 58 126.892 18.895 -14.541 1.00 0.00 C ATOM 946 CE2 TYR A 58 127.892 20.711 -13.351 1.00 0.00 C ATOM 947 CZ TYR A 58 127.928 19.786 -14.372 1.00 0.00 C ATOM 948 OH TYR A 58 128.998 19.756 -15.238 1.00 0.00 O ATOM 0 H TYR A 58 122.542 19.328 -10.465 1.00 0.00 H new ATOM 0 HA TYR A 58 124.968 17.938 -10.960 1.00 0.00 H new ATOM 0 HB2 TYR A 58 123.646 19.725 -12.328 1.00 0.00 H new ATOM 0 HB3 TYR A 58 124.461 20.903 -11.317 1.00 0.00 H new ATOM 0 HD1 TYR A 58 125.001 18.229 -13.822 1.00 0.00 H new ATOM 0 HD2 TYR A 58 126.773 21.473 -11.703 1.00 0.00 H new ATOM 0 HE1 TYR A 58 126.926 18.170 -15.341 1.00 0.00 H new ATOM 0 HE2 TYR A 58 128.708 21.405 -13.217 1.00 0.00 H new ATOM 0 HH TYR A 58 129.644 20.448 -14.984 1.00 0.00 H new ATOM 958 N ASP A 59 124.925 20.062 -8.504 1.00 0.00 N ATOM 959 CA ASP A 59 125.667 20.540 -7.351 1.00 0.00 C ATOM 960 C ASP A 59 124.778 20.542 -6.116 1.00 0.00 C ATOM 961 O ASP A 59 123.870 21.363 -6.002 1.00 0.00 O ATOM 962 CB ASP A 59 126.207 21.947 -7.597 1.00 0.00 C ATOM 963 CG ASP A 59 127.016 22.451 -6.423 1.00 0.00 C ATOM 964 OD1 ASP A 59 128.165 21.994 -6.257 1.00 0.00 O ATOM 965 OD2 ASP A 59 126.505 23.297 -5.660 1.00 0.00 O ATOM 0 H ASP A 59 123.932 20.297 -8.491 1.00 0.00 H new ATOM 0 HA ASP A 59 126.508 19.867 -7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 59 126.828 21.947 -8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 59 125.376 22.627 -7.785 1.00 0.00 H new ATOM 970 N PRO A 60 125.000 19.600 -5.195 1.00 0.00 N ATOM 971 CA PRO A 60 124.240 19.518 -3.954 1.00 0.00 C ATOM 972 C PRO A 60 124.813 20.416 -2.856 1.00 0.00 C ATOM 973 O PRO A 60 126.030 20.520 -2.696 1.00 0.00 O ATOM 974 CB PRO A 60 124.378 18.046 -3.573 1.00 0.00 C ATOM 975 CG PRO A 60 125.707 17.629 -4.115 1.00 0.00 C ATOM 976 CD PRO A 60 126.005 18.524 -5.295 1.00 0.00 C ATOM 0 HA PRO A 60 123.210 19.853 -4.075 1.00 0.00 H new ATOM 0 HB2 PRO A 60 124.333 17.912 -2.492 1.00 0.00 H new ATOM 0 HB3 PRO A 60 123.572 17.450 -4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 60 126.481 17.725 -3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 60 125.688 16.583 -4.420 1.00 0.00 H new ATOM 0 HD2 PRO A 60 127.019 18.921 -5.248 1.00 0.00 H new ATOM 0 HD3 PRO A 60 125.917 17.983 -6.237 1.00 0.00 H new ATOM 984 N PRO A 61 123.938 21.099 -2.096 1.00 0.00 N ATOM 985 CA PRO A 61 124.355 21.899 -0.938 1.00 0.00 C ATOM 986 C PRO A 61 124.816 21.013 0.218 1.00 0.00 C ATOM 987 O PRO A 61 125.561 21.442 1.099 1.00 0.00 O ATOM 988 CB PRO A 61 123.088 22.671 -0.561 1.00 0.00 C ATOM 989 CG PRO A 61 121.963 21.849 -1.088 1.00 0.00 C ATOM 990 CD PRO A 61 122.482 21.165 -2.323 1.00 0.00 C ATOM 0 HA PRO A 61 125.202 22.548 -1.162 1.00 0.00 H new ATOM 0 HB2 PRO A 61 123.011 22.799 0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 61 123.088 23.668 -1.001 1.00 0.00 H new ATOM 0 HG2 PRO A 61 121.635 21.119 -0.348 1.00 0.00 H new ATOM 0 HG3 PRO A 61 121.101 22.474 -1.323 1.00 0.00 H new ATOM 0 HD2 PRO A 61 122.049 20.172 -2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 61 122.242 21.729 -3.225 1.00 0.00 H new ATOM 998 N GLU A 62 124.352 19.771 0.197 1.00 0.00 N ATOM 999 CA GLU A 62 124.768 18.765 1.161 1.00 0.00 C ATOM 1000 C GLU A 62 125.932 17.965 0.590 1.00 0.00 C ATOM 1001 O GLU A 62 126.623 18.426 -0.319 1.00 0.00 O ATOM 1002 CB GLU A 62 123.600 17.829 1.477 1.00 0.00 C ATOM 1003 CG GLU A 62 122.480 18.485 2.265 1.00 0.00 C ATOM 1004 CD GLU A 62 122.898 18.837 3.676 1.00 0.00 C ATOM 1005 OE1 GLU A 62 123.084 17.909 4.491 1.00 0.00 O ATOM 1006 OE2 GLU A 62 123.027 20.038 3.986 1.00 0.00 O ATOM 0 H GLU A 62 123.677 19.434 -0.489 1.00 0.00 H new ATOM 0 HA GLU A 62 125.084 19.258 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 62 123.195 17.442 0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 62 123.975 16.974 2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 62 122.157 19.389 1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 62 121.622 17.814 2.300 1.00 0.00 H new ATOM 1013 N MET A 63 126.152 16.774 1.129 1.00 0.00 N ATOM 1014 CA MET A 63 127.162 15.877 0.587 1.00 0.00 C ATOM 1015 C MET A 63 126.726 15.364 -0.782 1.00 0.00 C ATOM 1016 O MET A 63 125.562 15.494 -1.158 1.00 0.00 O ATOM 1017 CB MET A 63 127.392 14.690 1.526 1.00 0.00 C ATOM 1018 CG MET A 63 127.891 15.079 2.905 1.00 0.00 C ATOM 1019 SD MET A 63 128.108 13.648 3.986 1.00 0.00 S ATOM 1020 CE MET A 63 126.436 13.007 4.037 1.00 0.00 C ATOM 0 H MET A 63 125.648 16.408 1.937 1.00 0.00 H new ATOM 0 HA MET A 63 128.094 16.434 0.488 1.00 0.00 H new ATOM 0 HB2 MET A 63 126.458 14.138 1.632 1.00 0.00 H new ATOM 0 HB3 MET A 63 128.113 14.013 1.068 1.00 0.00 H new ATOM 0 HG2 MET A 63 128.840 15.607 2.810 1.00 0.00 H new ATOM 0 HG3 MET A 63 127.185 15.773 3.362 1.00 0.00 H new ATOM 0 HE1 MET A 63 126.174 12.756 5.065 1.00 0.00 H new ATOM 0 HE2 MET A 63 125.745 13.761 3.660 1.00 0.00 H new ATOM 0 HE3 MET A 63 126.370 12.113 3.417 1.00 0.00 H new ATOM 1030 N LYS A 64 127.659 14.771 -1.516 1.00 0.00 N ATOM 1031 CA LYS A 64 127.355 14.211 -2.831 1.00 0.00 C ATOM 1032 C LYS A 64 126.611 12.885 -2.690 1.00 0.00 C ATOM 1033 O LYS A 64 126.126 12.318 -3.667 1.00 0.00 O ATOM 1034 CB LYS A 64 128.645 14.028 -3.632 1.00 0.00 C ATOM 1035 CG LYS A 64 129.372 15.336 -3.896 1.00 0.00 C ATOM 1036 CD LYS A 64 130.697 15.115 -4.600 1.00 0.00 C ATOM 1037 CE LYS A 64 131.403 16.433 -4.875 1.00 0.00 C ATOM 1038 NZ LYS A 64 132.734 16.225 -5.495 1.00 0.00 N ATOM 0 H LYS A 64 128.631 14.664 -1.226 1.00 0.00 H new ATOM 0 HA LYS A 64 126.708 14.904 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 64 129.309 13.353 -3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 64 128.410 13.551 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 64 128.742 15.985 -4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 64 129.544 15.852 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 64 131.335 14.479 -3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 64 130.529 14.587 -5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 64 130.787 17.045 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 64 131.519 16.985 -3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 133.184 17.146 -5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 133.331 15.662 -4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 132.622 15.720 -6.397 1.00 0.00 H new ATOM 1052 N TYR A 65 126.540 12.401 -1.459 1.00 0.00 N ATOM 1053 CA TYR A 65 125.761 11.222 -1.123 1.00 0.00 C ATOM 1054 C TYR A 65 124.989 11.494 0.156 1.00 0.00 C ATOM 1055 O TYR A 65 125.541 12.047 1.107 1.00 0.00 O ATOM 1056 CB TYR A 65 126.660 9.994 -0.941 1.00 0.00 C ATOM 1057 CG TYR A 65 127.354 9.543 -2.209 1.00 0.00 C ATOM 1058 CD1 TYR A 65 126.671 8.812 -3.174 1.00 0.00 C ATOM 1059 CD2 TYR A 65 128.691 9.845 -2.438 1.00 0.00 C ATOM 1060 CE1 TYR A 65 127.301 8.395 -4.331 1.00 0.00 C ATOM 1061 CE2 TYR A 65 129.326 9.432 -3.593 1.00 0.00 C ATOM 1062 CZ TYR A 65 128.628 8.707 -4.536 1.00 0.00 C ATOM 1063 OH TYR A 65 129.260 8.294 -5.686 1.00 0.00 O ATOM 0 H TYR A 65 127.023 12.818 -0.663 1.00 0.00 H new ATOM 0 HA TYR A 65 125.072 11.009 -1.941 1.00 0.00 H new ATOM 0 HB2 TYR A 65 127.414 10.218 -0.187 1.00 0.00 H new ATOM 0 HB3 TYR A 65 126.059 9.170 -0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 65 125.631 8.566 -3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 65 129.242 10.411 -1.702 1.00 0.00 H new ATOM 0 HE1 TYR A 65 126.756 7.827 -5.071 1.00 0.00 H new ATOM 0 HE2 TYR A 65 130.365 9.676 -3.757 1.00 0.00 H new ATOM 0 HH TYR A 65 130.192 8.598 -5.674 1.00 0.00 H new ATOM 1073 N THR A 66 123.721 11.126 0.181 1.00 0.00 N ATOM 1074 CA THR A 66 122.879 11.418 1.325 1.00 0.00 C ATOM 1075 C THR A 66 121.987 10.218 1.660 1.00 0.00 C ATOM 1076 O THR A 66 122.103 9.156 1.043 1.00 0.00 O ATOM 1077 CB THR A 66 122.033 12.690 1.068 1.00 0.00 C ATOM 1078 OG1 THR A 66 121.282 13.049 2.235 1.00 0.00 O ATOM 1079 CG2 THR A 66 121.094 12.492 -0.109 1.00 0.00 C ATOM 0 H THR A 66 123.254 10.626 -0.575 1.00 0.00 H new ATOM 0 HA THR A 66 123.520 11.609 2.186 1.00 0.00 H new ATOM 0 HB THR A 66 122.722 13.501 0.831 1.00 0.00 H new ATOM 0 HG1 THR A 66 120.757 13.856 2.051 1.00 0.00 H new ATOM 0 HG21 THR A 66 120.512 13.400 -0.267 1.00 0.00 H new ATOM 0 HG22 THR A 66 121.675 12.272 -1.005 1.00 0.00 H new ATOM 0 HG23 THR A 66 120.420 11.661 0.099 1.00 0.00 H new ATOM 1087 N ASN A 67 121.101 10.392 2.630 1.00 0.00 N ATOM 1088 CA ASN A 67 120.312 9.290 3.165 1.00 0.00 C ATOM 1089 C ASN A 67 119.000 9.116 2.413 1.00 0.00 C ATOM 1090 O ASN A 67 118.049 9.877 2.616 1.00 0.00 O ATOM 1091 CB ASN A 67 120.023 9.515 4.652 1.00 0.00 C ATOM 1092 CG ASN A 67 121.275 9.484 5.507 1.00 0.00 C ATOM 1093 OD1 ASN A 67 122.223 8.755 5.218 1.00 0.00 O ATOM 1094 ND2 ASN A 67 121.290 10.284 6.562 1.00 0.00 N ATOM 0 H ASN A 67 120.909 11.294 3.066 1.00 0.00 H new ATOM 0 HA ASN A 67 120.899 8.380 3.038 1.00 0.00 H new ATOM 0 HB2 ASN A 67 119.526 10.477 4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 67 119.331 8.750 5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 67 122.109 10.311 7.170 1.00 0.00 H new ATOM 0 HD22 ASN A 67 120.483 10.873 6.767 1.00 0.00 H new ATOM 1101 N VAL A 68 118.961 8.117 1.539 1.00 0.00 N ATOM 1102 CA VAL A 68 117.734 7.749 0.844 1.00 0.00 C ATOM 1103 C VAL A 68 116.767 7.100 1.830 1.00 0.00 C ATOM 1104 O VAL A 68 117.171 6.270 2.649 1.00 0.00 O ATOM 1105 CB VAL A 68 118.016 6.778 -0.327 1.00 0.00 C ATOM 1106 CG1 VAL A 68 116.736 6.445 -1.083 1.00 0.00 C ATOM 1107 CG2 VAL A 68 119.057 7.366 -1.268 1.00 0.00 C ATOM 0 H VAL A 68 119.769 7.545 1.294 1.00 0.00 H new ATOM 0 HA VAL A 68 117.292 8.655 0.430 1.00 0.00 H new ATOM 0 HB VAL A 68 118.410 5.851 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 68 116.964 5.761 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 68 116.024 5.975 -0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 68 116.303 7.360 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 68 119.243 6.670 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 68 118.691 8.310 -1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 68 119.984 7.540 -0.722 1.00 0.00 H new ATOM 1117 N LYS A 69 115.502 7.480 1.763 1.00 0.00 N ATOM 1118 CA LYS A 69 114.531 7.054 2.759 1.00 0.00 C ATOM 1119 C LYS A 69 113.520 6.076 2.179 1.00 0.00 C ATOM 1120 O LYS A 69 112.790 6.397 1.241 1.00 0.00 O ATOM 1121 CB LYS A 69 113.815 8.272 3.339 1.00 0.00 C ATOM 1122 CG LYS A 69 114.766 9.286 3.946 1.00 0.00 C ATOM 1123 CD LYS A 69 114.064 10.587 4.284 1.00 0.00 C ATOM 1124 CE LYS A 69 115.062 11.645 4.718 1.00 0.00 C ATOM 1125 NZ LYS A 69 116.132 11.837 3.704 1.00 0.00 N ATOM 0 H LYS A 69 115.123 8.081 1.031 1.00 0.00 H new ATOM 0 HA LYS A 69 115.070 6.536 3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.233 8.753 2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 69 113.109 7.943 4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 69 115.213 8.870 4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 69 115.580 9.483 3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 69 113.508 10.941 3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 69 113.339 10.417 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 69 114.543 12.589 4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 69 115.509 11.356 5.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 116.597 12.754 3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 116.833 11.074 3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 115.715 11.818 2.751 1.00 0.00 H new ATOM 1139 N LYS A 70 113.494 4.878 2.743 1.00 0.00 N ATOM 1140 CA LYS A 70 112.507 3.877 2.379 1.00 0.00 C ATOM 1141 C LYS A 70 111.257 4.079 3.226 1.00 0.00 C ATOM 1142 O LYS A 70 111.314 3.972 4.453 1.00 0.00 O ATOM 1143 CB LYS A 70 113.053 2.466 2.621 1.00 0.00 C ATOM 1144 CG LYS A 70 114.418 2.205 2.003 1.00 0.00 C ATOM 1145 CD LYS A 70 114.928 0.824 2.382 1.00 0.00 C ATOM 1146 CE LYS A 70 116.354 0.587 1.906 1.00 0.00 C ATOM 1147 NZ LYS A 70 116.457 0.540 0.424 1.00 0.00 N ATOM 0 H LYS A 70 114.152 4.575 3.461 1.00 0.00 H new ATOM 0 HA LYS A 70 112.271 3.986 1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 70 113.115 2.293 3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 70 112.343 1.742 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 70 114.353 2.288 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 70 115.125 2.963 2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 70 114.884 0.707 3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 70 114.273 0.066 1.953 1.00 0.00 H new ATOM 0 HE2 LYS A 70 116.998 1.380 2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 70 116.722 -0.350 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 117.291 -0.018 0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 115.601 0.099 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 116.551 1.507 0.052 1.00 0.00 H new ATOM 1161 N VAL A 71 110.140 4.394 2.593 1.00 0.00 N ATOM 1162 CA VAL A 71 108.898 4.572 3.324 1.00 0.00 C ATOM 1163 C VAL A 71 108.037 3.316 3.237 1.00 0.00 C ATOM 1164 O VAL A 71 107.656 2.873 2.151 1.00 0.00 O ATOM 1165 CB VAL A 71 108.098 5.813 2.852 1.00 0.00 C ATOM 1166 CG1 VAL A 71 108.866 7.087 3.171 1.00 0.00 C ATOM 1167 CG2 VAL A 71 107.779 5.748 1.364 1.00 0.00 C ATOM 0 H VAL A 71 110.067 4.531 1.585 1.00 0.00 H new ATOM 0 HA VAL A 71 109.169 4.747 4.365 1.00 0.00 H new ATOM 0 HB VAL A 71 107.151 5.820 3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 71 108.293 7.951 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 71 109.027 7.155 4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 71 109.829 7.069 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 71 107.218 6.636 1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 71 108.707 5.703 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 71 107.183 4.859 1.158 1.00 0.00 H new ATOM 1177 N LYS A 72 107.775 2.722 4.391 1.00 0.00 N ATOM 1178 CA LYS A 72 106.942 1.535 4.474 1.00 0.00 C ATOM 1179 C LYS A 72 105.474 1.929 4.500 1.00 0.00 C ATOM 1180 O LYS A 72 104.919 2.236 5.557 1.00 0.00 O ATOM 1181 CB LYS A 72 107.295 0.718 5.721 1.00 0.00 C ATOM 1182 CG LYS A 72 108.643 0.020 5.637 1.00 0.00 C ATOM 1183 CD LYS A 72 109.068 -0.525 6.991 1.00 0.00 C ATOM 1184 CE LYS A 72 110.253 -1.474 6.875 1.00 0.00 C ATOM 1185 NZ LYS A 72 111.372 -0.894 6.084 1.00 0.00 N ATOM 0 H LYS A 72 108.131 3.047 5.290 1.00 0.00 H new ATOM 0 HA LYS A 72 107.126 0.918 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.291 1.378 6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 72 106.519 -0.030 5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 72 108.589 -0.795 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 72 109.395 0.719 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 72 109.329 0.303 7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 72 108.229 -1.046 7.452 1.00 0.00 H new ATOM 0 HE2 LYS A 72 110.611 -1.727 7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 72 109.926 -2.403 6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 112.253 -1.400 6.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 111.165 -0.989 5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 111.481 0.112 6.323 1.00 0.00 H new ATOM 1199 N ILE A 73 104.860 1.950 3.332 1.00 0.00 N ATOM 1200 CA ILE A 73 103.463 2.322 3.213 1.00 0.00 C ATOM 1201 C ILE A 73 102.579 1.085 3.294 1.00 0.00 C ATOM 1202 O ILE A 73 102.584 0.245 2.396 1.00 0.00 O ATOM 1203 CB ILE A 73 103.190 3.065 1.885 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.076 4.314 1.773 1.00 0.00 C ATOM 1205 CG2 ILE A 73 101.718 3.442 1.772 1.00 0.00 C ATOM 1206 CD1 ILE A 73 103.867 5.319 2.887 1.00 0.00 C ATOM 0 H ILE A 73 105.310 1.712 2.448 1.00 0.00 H new ATOM 0 HA ILE A 73 103.228 2.993 4.039 1.00 0.00 H new ATOM 0 HB ILE A 73 103.436 2.394 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 73 105.122 4.006 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 73 103.881 4.801 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 73 101.547 3.964 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.108 2.539 1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 73 101.444 4.093 2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 73 104.529 6.172 2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 73 102.831 5.658 2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 73 104.091 4.851 3.846 1.00 0.00 H new ATOM 1218 N LYS A 74 101.842 0.956 4.380 1.00 0.00 N ATOM 1219 CA LYS A 74 100.930 -0.160 4.529 1.00 0.00 C ATOM 1220 C LYS A 74 99.539 0.235 4.051 1.00 0.00 C ATOM 1221 O LYS A 74 98.903 1.120 4.622 1.00 0.00 O ATOM 1222 CB LYS A 74 100.876 -0.638 5.984 1.00 0.00 C ATOM 1223 CG LYS A 74 100.023 -1.886 6.173 1.00 0.00 C ATOM 1224 CD LYS A 74 100.060 -2.395 7.605 1.00 0.00 C ATOM 1225 CE LYS A 74 99.430 -1.406 8.572 1.00 0.00 C ATOM 1226 NZ LYS A 74 99.379 -1.949 9.955 1.00 0.00 N ATOM 0 H LYS A 74 101.856 1.605 5.167 1.00 0.00 H new ATOM 0 HA LYS A 74 101.297 -0.984 3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 74 101.889 -0.842 6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.480 0.163 6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 74 98.993 -1.665 5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.374 -2.669 5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 74 99.534 -3.348 7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 74 101.093 -2.582 7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 74 100.000 -0.477 8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 74 98.421 -1.163 8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 98.943 -1.248 10.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.814 -2.822 9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 100.344 -2.158 10.282 1.00 0.00 H new ATOM 1240 N LYS A 75 99.084 -0.407 2.988 1.00 0.00 N ATOM 1241 CA LYS A 75 97.753 -0.156 2.461 1.00 0.00 C ATOM 1242 C LYS A 75 96.817 -1.283 2.877 1.00 0.00 C ATOM 1243 O LYS A 75 97.268 -2.336 3.334 1.00 0.00 O ATOM 1244 CB LYS A 75 97.784 -0.020 0.936 1.00 0.00 C ATOM 1245 CG LYS A 75 98.633 1.139 0.433 1.00 0.00 C ATOM 1246 CD LYS A 75 98.641 1.193 -1.087 1.00 0.00 C ATOM 1247 CE LYS A 75 99.665 2.183 -1.620 1.00 0.00 C ATOM 1248 NZ LYS A 75 99.245 3.599 -1.442 1.00 0.00 N ATOM 0 H LYS A 75 99.618 -1.107 2.472 1.00 0.00 H new ATOM 0 HA LYS A 75 97.386 0.784 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 75 98.163 -0.947 0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 75 96.764 0.106 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.246 2.077 0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 75 99.653 1.033 0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 75 98.857 0.201 -1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 75 97.649 1.470 -1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 75 100.616 2.024 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 75 99.834 1.989 -2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 99.947 4.227 -1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 98.319 3.745 -1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 99.176 3.816 -0.427 1.00 0.00 H new ATOM 1262 N VAL A 76 95.524 -1.065 2.717 1.00 0.00 N ATOM 1263 CA VAL A 76 94.527 -2.027 3.153 1.00 0.00 C ATOM 1264 C VAL A 76 93.650 -2.452 1.978 1.00 0.00 C ATOM 1265 O VAL A 76 93.367 -1.651 1.087 1.00 0.00 O ATOM 1266 CB VAL A 76 93.653 -1.438 4.289 1.00 0.00 C ATOM 1267 CG1 VAL A 76 92.873 -0.218 3.818 1.00 0.00 C ATOM 1268 CG2 VAL A 76 92.716 -2.488 4.853 1.00 0.00 C ATOM 0 H VAL A 76 95.138 -0.225 2.286 1.00 0.00 H new ATOM 0 HA VAL A 76 95.046 -2.904 3.540 1.00 0.00 H new ATOM 0 HB VAL A 76 94.325 -1.116 5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.271 0.169 4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.569 0.552 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.220 -0.500 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.114 -2.049 5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.061 -2.854 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.298 -3.317 5.254 1.00 0.00 H new ATOM 1278 N TYR A 77 93.246 -3.713 1.957 1.00 0.00 N ATOM 1279 CA TYR A 77 92.395 -4.208 0.891 1.00 0.00 C ATOM 1280 C TYR A 77 91.488 -5.328 1.379 1.00 0.00 C ATOM 1281 O TYR A 77 91.687 -5.880 2.464 1.00 0.00 O ATOM 1282 CB TYR A 77 93.244 -4.710 -0.289 1.00 0.00 C ATOM 1283 CG TYR A 77 94.078 -5.944 0.000 1.00 0.00 C ATOM 1284 CD1 TYR A 77 93.524 -7.219 -0.076 1.00 0.00 C ATOM 1285 CD2 TYR A 77 95.422 -5.837 0.330 1.00 0.00 C ATOM 1286 CE1 TYR A 77 94.284 -8.345 0.169 1.00 0.00 C ATOM 1287 CE2 TYR A 77 96.190 -6.961 0.578 1.00 0.00 C ATOM 1288 CZ TYR A 77 95.615 -8.213 0.495 1.00 0.00 C ATOM 1289 OH TYR A 77 96.373 -9.336 0.736 1.00 0.00 O ATOM 0 H TYR A 77 93.493 -4.407 2.662 1.00 0.00 H new ATOM 0 HA TYR A 77 91.771 -3.378 0.560 1.00 0.00 H new ATOM 0 HB2 TYR A 77 92.582 -4.926 -1.128 1.00 0.00 H new ATOM 0 HB3 TYR A 77 93.909 -3.907 -0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 77 92.480 -7.329 -0.331 1.00 0.00 H new ATOM 0 HD2 TYR A 77 95.876 -4.859 0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 77 93.836 -9.326 0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 77 97.234 -6.859 0.835 1.00 0.00 H new ATOM 0 HH TYR A 77 97.324 -9.100 0.715 1.00 0.00 H new ATOM 1299 N PHE A 78 90.486 -5.645 0.576 1.00 0.00 N ATOM 1300 CA PHE A 78 89.717 -6.861 0.767 1.00 0.00 C ATOM 1301 C PHE A 78 89.746 -7.676 -0.513 1.00 0.00 C ATOM 1302 O PHE A 78 89.600 -7.136 -1.613 1.00 0.00 O ATOM 1303 CB PHE A 78 88.273 -6.587 1.220 1.00 0.00 C ATOM 1304 CG PHE A 78 87.456 -5.714 0.305 1.00 0.00 C ATOM 1305 CD1 PHE A 78 87.475 -4.337 0.443 1.00 0.00 C ATOM 1306 CD2 PHE A 78 86.650 -6.272 -0.679 1.00 0.00 C ATOM 1307 CE1 PHE A 78 86.712 -3.532 -0.379 1.00 0.00 C ATOM 1308 CE2 PHE A 78 85.889 -5.471 -1.506 1.00 0.00 C ATOM 1309 CZ PHE A 78 85.919 -4.100 -1.355 1.00 0.00 C ATOM 0 H PHE A 78 90.187 -5.075 -0.215 1.00 0.00 H new ATOM 0 HA PHE A 78 90.180 -7.429 1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 78 87.760 -7.542 1.334 1.00 0.00 H new ATOM 0 HB3 PHE A 78 88.303 -6.121 2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.095 -3.886 1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 78 86.618 -7.345 -0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 78 86.736 -2.459 -0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 78 85.270 -5.917 -2.271 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.322 -3.472 -2.000 1.00 0.00 H new ATOM 1319 N GLU A 79 89.980 -8.966 -0.365 1.00 0.00 N ATOM 1320 CA GLU A 79 90.110 -9.853 -1.505 1.00 0.00 C ATOM 1321 C GLU A 79 88.844 -10.682 -1.672 1.00 0.00 C ATOM 1322 O GLU A 79 88.472 -11.452 -0.783 1.00 0.00 O ATOM 1323 CB GLU A 79 91.327 -10.764 -1.318 1.00 0.00 C ATOM 1324 CG GLU A 79 91.681 -11.581 -2.549 1.00 0.00 C ATOM 1325 CD GLU A 79 92.875 -12.482 -2.319 1.00 0.00 C ATOM 1326 OE1 GLU A 79 94.022 -11.988 -2.374 1.00 0.00 O ATOM 1327 OE2 GLU A 79 92.668 -13.690 -2.080 1.00 0.00 O ATOM 0 H GLU A 79 90.085 -9.425 0.540 1.00 0.00 H new ATOM 0 HA GLU A 79 90.253 -9.257 -2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 79 92.186 -10.153 -1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 79 91.136 -11.442 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 79 90.823 -12.187 -2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 79 91.892 -10.908 -3.380 1.00 0.00 H new ATOM 1334 N THR A 80 88.177 -10.514 -2.805 1.00 0.00 N ATOM 1335 CA THR A 80 86.946 -11.238 -3.076 1.00 0.00 C ATOM 1336 C THR A 80 87.251 -12.664 -3.524 1.00 0.00 C ATOM 1337 O THR A 80 88.418 -13.052 -3.641 1.00 0.00 O ATOM 1338 CB THR A 80 86.103 -10.528 -4.156 1.00 0.00 C ATOM 1339 OG1 THR A 80 86.827 -10.471 -5.393 1.00 0.00 O ATOM 1340 CG2 THR A 80 85.735 -9.117 -3.717 1.00 0.00 C ATOM 0 H THR A 80 88.469 -9.882 -3.551 1.00 0.00 H new ATOM 0 HA THR A 80 86.372 -11.265 -2.150 1.00 0.00 H new ATOM 0 HB THR A 80 85.187 -11.101 -4.298 1.00 0.00 H new ATOM 0 HG1 THR A 80 86.226 -10.695 -6.134 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.141 -8.637 -4.495 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.156 -9.162 -2.795 1.00 0.00 H new ATOM 0 HG23 THR A 80 86.644 -8.540 -3.547 1.00 0.00 H new ATOM 1348 N LEU A 81 86.205 -13.437 -3.797 1.00 0.00 N ATOM 1349 CA LEU A 81 86.366 -14.820 -4.238 1.00 0.00 C ATOM 1350 C LEU A 81 87.018 -14.873 -5.617 1.00 0.00 C ATOM 1351 O LEU A 81 87.499 -15.920 -6.052 1.00 0.00 O ATOM 1352 CB LEU A 81 85.012 -15.544 -4.275 1.00 0.00 C ATOM 1353 CG LEU A 81 84.395 -15.894 -2.913 1.00 0.00 C ATOM 1354 CD1 LEU A 81 83.962 -14.643 -2.160 1.00 0.00 C ATOM 1355 CD2 LEU A 81 83.214 -16.835 -3.097 1.00 0.00 C ATOM 0 H LEU A 81 85.235 -13.130 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 81 87.013 -15.325 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.305 -14.921 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 81 85.131 -16.466 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 81 85.159 -16.394 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 81 83.530 -14.927 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.827 -14.001 -1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.219 -14.104 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 81 82.785 -17.076 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 81 82.458 -16.353 -3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 81 83.551 -17.751 -3.582 1.00 0.00 H new ATOM 1367 N ASP A 82 87.050 -13.727 -6.286 1.00 0.00 N ATOM 1368 CA ASP A 82 87.606 -13.623 -7.630 1.00 0.00 C ATOM 1369 C ASP A 82 89.113 -13.407 -7.572 1.00 0.00 C ATOM 1370 O ASP A 82 89.769 -13.314 -8.608 1.00 0.00 O ATOM 1371 CB ASP A 82 86.980 -12.444 -8.376 1.00 0.00 C ATOM 1372 CG ASP A 82 85.495 -12.300 -8.125 1.00 0.00 C ATOM 1373 OD1 ASP A 82 85.125 -11.586 -7.166 1.00 0.00 O ATOM 1374 OD2 ASP A 82 84.698 -12.873 -8.893 1.00 0.00 O ATOM 0 H ASP A 82 86.693 -12.847 -5.914 1.00 0.00 H new ATOM 0 HA ASP A 82 87.386 -14.554 -8.152 1.00 0.00 H new ATOM 0 HB2 ASP A 82 87.483 -11.525 -8.077 1.00 0.00 H new ATOM 0 HB3 ASP A 82 87.151 -12.567 -9.445 1.00 0.00 H new ATOM 1379 N ASN A 83 89.641 -13.316 -6.348 1.00 0.00 N ATOM 1380 CA ASN A 83 91.056 -13.003 -6.104 1.00 0.00 C ATOM 1381 C ASN A 83 91.348 -11.551 -6.459 1.00 0.00 C ATOM 1382 O ASN A 83 92.500 -11.161 -6.643 1.00 0.00 O ATOM 1383 CB ASN A 83 92.004 -13.932 -6.880 1.00 0.00 C ATOM 1384 CG ASN A 83 91.885 -15.384 -6.466 1.00 0.00 C ATOM 1385 OD1 ASN A 83 92.507 -15.823 -5.494 1.00 0.00 O ATOM 1386 ND2 ASN A 83 91.105 -16.148 -7.214 1.00 0.00 N ATOM 0 H ASN A 83 89.100 -13.457 -5.495 1.00 0.00 H new ATOM 0 HA ASN A 83 91.238 -13.163 -5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 83 91.795 -13.846 -7.946 1.00 0.00 H new ATOM 0 HB3 ASN A 83 93.031 -13.601 -6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 83 91.001 -17.139 -6.996 1.00 0.00 H new ATOM 0 HD22 ASN A 83 90.608 -15.746 -8.009 1.00 0.00 H new ATOM 1393 N VAL A 84 90.294 -10.750 -6.541 1.00 0.00 N ATOM 1394 CA VAL A 84 90.434 -9.331 -6.816 1.00 0.00 C ATOM 1395 C VAL A 84 90.625 -8.565 -5.517 1.00 0.00 C ATOM 1396 O VAL A 84 89.806 -8.660 -4.601 1.00 0.00 O ATOM 1397 CB VAL A 84 89.210 -8.771 -7.573 1.00 0.00 C ATOM 1398 CG1 VAL A 84 89.354 -7.275 -7.810 1.00 0.00 C ATOM 1399 CG2 VAL A 84 89.025 -9.499 -8.894 1.00 0.00 C ATOM 0 H VAL A 84 89.331 -11.063 -6.420 1.00 0.00 H new ATOM 0 HA VAL A 84 91.310 -9.204 -7.452 1.00 0.00 H new ATOM 0 HB VAL A 84 88.327 -8.934 -6.956 1.00 0.00 H new ATOM 0 HG11 VAL A 84 88.479 -6.905 -8.345 1.00 0.00 H new ATOM 0 HG12 VAL A 84 89.438 -6.761 -6.852 1.00 0.00 H new ATOM 0 HG13 VAL A 84 90.249 -7.085 -8.403 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.158 -9.092 -9.415 1.00 0.00 H new ATOM 0 HG22 VAL A 84 89.914 -9.366 -9.510 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.870 -10.561 -8.705 1.00 0.00 H new ATOM 1409 N ARG A 85 91.716 -7.822 -5.436 1.00 0.00 N ATOM 1410 CA ARG A 85 92.027 -7.059 -4.241 1.00 0.00 C ATOM 1411 C ARG A 85 91.644 -5.599 -4.415 1.00 0.00 C ATOM 1412 O ARG A 85 92.269 -4.870 -5.185 1.00 0.00 O ATOM 1413 CB ARG A 85 93.516 -7.168 -3.886 1.00 0.00 C ATOM 1414 CG ARG A 85 93.914 -8.520 -3.316 1.00 0.00 C ATOM 1415 CD ARG A 85 94.061 -9.584 -4.391 1.00 0.00 C ATOM 1416 NE ARG A 85 95.368 -9.537 -5.040 1.00 0.00 N ATOM 1417 CZ ARG A 85 96.328 -10.434 -4.822 1.00 0.00 C ATOM 1418 NH1 ARG A 85 96.133 -11.424 -3.953 1.00 0.00 N ATOM 1419 NH2 ARG A 85 97.483 -10.338 -5.468 1.00 0.00 N ATOM 0 H ARG A 85 92.402 -7.731 -6.186 1.00 0.00 H new ATOM 0 HA ARG A 85 91.443 -7.481 -3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 85 94.108 -6.973 -4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.765 -6.392 -3.163 1.00 0.00 H new ATOM 0 HG2 ARG A 85 94.856 -8.420 -2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 85 93.165 -8.840 -2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 85 93.913 -10.569 -3.948 1.00 0.00 H new ATOM 0 HD3 ARG A 85 93.280 -9.451 -5.140 1.00 0.00 H new ATOM 0 HE ARG A 85 95.556 -8.778 -5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 85 95.247 -11.496 -3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 85 96.870 -12.110 -3.788 1.00 0.00 H new ATOM 0 HH21 ARG A 85 97.635 -9.578 -6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 85 98.219 -11.024 -5.302 1.00 0.00 H new ATOM 1433 N VAL A 86 90.600 -5.184 -3.721 1.00 0.00 N ATOM 1434 CA VAL A 86 90.212 -3.785 -3.704 1.00 0.00 C ATOM 1435 C VAL A 86 91.056 -3.048 -2.672 1.00 0.00 C ATOM 1436 O VAL A 86 90.858 -3.211 -1.470 1.00 0.00 O ATOM 1437 CB VAL A 86 88.715 -3.610 -3.388 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.330 -2.139 -3.400 1.00 0.00 C ATOM 1439 CG2 VAL A 86 87.867 -4.393 -4.378 1.00 0.00 C ATOM 0 H VAL A 86 90.005 -5.796 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 86 90.384 -3.368 -4.696 1.00 0.00 H new ATOM 0 HB VAL A 86 88.528 -4.002 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.268 -2.039 -3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 86 88.912 -1.604 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 86 88.533 -1.718 -4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 86 86.812 -4.258 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.060 -4.032 -5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.120 -5.451 -4.317 1.00 0.00 H new ATOM 1449 N VAL A 87 92.003 -2.258 -3.158 1.00 0.00 N ATOM 1450 CA VAL A 87 93.034 -1.672 -2.310 1.00 0.00 C ATOM 1451 C VAL A 87 92.810 -0.178 -2.096 1.00 0.00 C ATOM 1452 O VAL A 87 92.374 0.534 -3.000 1.00 0.00 O ATOM 1453 CB VAL A 87 94.439 -1.884 -2.920 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.523 -1.371 -1.983 1.00 0.00 C ATOM 1455 CG2 VAL A 87 94.672 -3.349 -3.256 1.00 0.00 C ATOM 0 H VAL A 87 92.079 -2.006 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 87 92.971 -2.179 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 87 94.490 -1.311 -3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.501 -1.532 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.376 -0.306 -1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.469 -1.907 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 87 95.667 -3.470 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 87 94.591 -3.948 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 87 93.925 -3.680 -3.977 1.00 0.00 H new ATOM 1465 N THR A 88 93.104 0.275 -0.886 1.00 0.00 N ATOM 1466 CA THR A 88 93.056 1.684 -0.535 1.00 0.00 C ATOM 1467 C THR A 88 94.054 1.959 0.596 1.00 0.00 C ATOM 1468 O THR A 88 94.408 1.052 1.346 1.00 0.00 O ATOM 1469 CB THR A 88 91.624 2.088 -0.118 1.00 0.00 C ATOM 1470 OG1 THR A 88 90.734 1.886 -1.221 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.550 3.537 0.327 1.00 0.00 C ATOM 0 H THR A 88 93.385 -0.331 -0.115 1.00 0.00 H new ATOM 0 HA THR A 88 93.331 2.283 -1.403 1.00 0.00 H new ATOM 0 HB THR A 88 91.334 1.463 0.727 1.00 0.00 H new ATOM 0 HG1 THR A 88 90.081 1.192 -0.992 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.526 3.778 0.611 1.00 0.00 H new ATOM 0 HG22 THR A 88 92.209 3.689 1.182 1.00 0.00 H new ATOM 0 HG23 THR A 88 91.862 4.185 -0.492 1.00 0.00 H new ATOM 1479 N ASP A 89 94.542 3.190 0.690 1.00 0.00 N ATOM 1480 CA ASP A 89 95.529 3.545 1.706 1.00 0.00 C ATOM 1481 C ASP A 89 94.964 3.421 3.116 1.00 0.00 C ATOM 1482 O ASP A 89 94.011 4.104 3.484 1.00 0.00 O ATOM 1483 CB ASP A 89 96.063 4.958 1.473 1.00 0.00 C ATOM 1484 CG ASP A 89 97.107 4.997 0.377 1.00 0.00 C ATOM 1485 OD1 ASP A 89 96.732 5.096 -0.808 1.00 0.00 O ATOM 1486 OD2 ASP A 89 98.312 4.904 0.697 1.00 0.00 O ATOM 0 H ASP A 89 94.272 3.959 0.077 1.00 0.00 H new ATOM 0 HA ASP A 89 96.352 2.836 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 89 95.237 5.619 1.210 1.00 0.00 H new ATOM 0 HB3 ASP A 89 96.495 5.340 2.398 1.00 0.00 H new ATOM 1491 N TYR A 90 95.587 2.546 3.896 1.00 0.00 N ATOM 1492 CA TYR A 90 95.184 2.268 5.273 1.00 0.00 C ATOM 1493 C TYR A 90 95.332 3.510 6.141 1.00 0.00 C ATOM 1494 O TYR A 90 94.500 3.774 7.011 1.00 0.00 O ATOM 1495 CB TYR A 90 96.052 1.123 5.808 1.00 0.00 C ATOM 1496 CG TYR A 90 95.732 0.649 7.211 1.00 0.00 C ATOM 1497 CD1 TYR A 90 94.594 -0.102 7.474 1.00 0.00 C ATOM 1498 CD2 TYR A 90 96.596 0.922 8.266 1.00 0.00 C ATOM 1499 CE1 TYR A 90 94.323 -0.562 8.750 1.00 0.00 C ATOM 1500 CE2 TYR A 90 96.336 0.458 9.541 1.00 0.00 C ATOM 1501 CZ TYR A 90 95.199 -0.282 9.778 1.00 0.00 C ATOM 1502 OH TYR A 90 94.944 -0.752 11.048 1.00 0.00 O ATOM 0 H TYR A 90 96.394 2.003 3.589 1.00 0.00 H new ATOM 0 HA TYR A 90 94.134 1.978 5.299 1.00 0.00 H new ATOM 0 HB2 TYR A 90 95.960 0.275 5.129 1.00 0.00 H new ATOM 0 HB3 TYR A 90 97.094 1.440 5.782 1.00 0.00 H new ATOM 0 HD1 TYR A 90 93.910 -0.330 6.670 1.00 0.00 H new ATOM 0 HD2 TYR A 90 97.486 1.507 8.085 1.00 0.00 H new ATOM 0 HE1 TYR A 90 93.429 -1.138 8.941 1.00 0.00 H new ATOM 0 HE2 TYR A 90 97.021 0.674 10.348 1.00 0.00 H new ATOM 0 HH TYR A 90 95.660 -0.466 11.653 1.00 0.00 H new ATOM 1512 N SER A 91 96.385 4.275 5.881 1.00 0.00 N ATOM 1513 CA SER A 91 96.641 5.508 6.609 1.00 0.00 C ATOM 1514 C SER A 91 95.485 6.492 6.431 1.00 0.00 C ATOM 1515 O SER A 91 95.009 7.082 7.397 1.00 0.00 O ATOM 1516 CB SER A 91 97.943 6.135 6.117 1.00 0.00 C ATOM 1517 OG SER A 91 98.968 5.159 6.015 1.00 0.00 O ATOM 0 H SER A 91 97.079 4.059 5.166 1.00 0.00 H new ATOM 0 HA SER A 91 96.731 5.274 7.670 1.00 0.00 H new ATOM 0 HB2 SER A 91 97.782 6.602 5.145 1.00 0.00 H new ATOM 0 HB3 SER A 91 98.253 6.924 6.802 1.00 0.00 H new ATOM 0 HG SER A 91 99.792 5.582 5.696 1.00 0.00 H new ATOM 1523 N GLU A 92 95.023 6.643 5.193 1.00 0.00 N ATOM 1524 CA GLU A 92 93.931 7.562 4.890 1.00 0.00 C ATOM 1525 C GLU A 92 92.584 6.963 5.282 1.00 0.00 C ATOM 1526 O GLU A 92 91.659 7.686 5.647 1.00 0.00 O ATOM 1527 CB GLU A 92 93.935 7.932 3.407 1.00 0.00 C ATOM 1528 CG GLU A 92 95.077 8.856 3.019 1.00 0.00 C ATOM 1529 CD GLU A 92 95.010 10.187 3.741 1.00 0.00 C ATOM 1530 OE1 GLU A 92 94.291 11.091 3.264 1.00 0.00 O ATOM 1531 OE2 GLU A 92 95.664 10.337 4.791 1.00 0.00 O ATOM 0 H GLU A 92 95.388 6.141 4.384 1.00 0.00 H new ATOM 0 HA GLU A 92 94.084 8.468 5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 92 93.997 7.020 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 92 92.989 8.411 3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 92 96.027 8.371 3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.053 9.027 1.943 1.00 0.00 H new ATOM 1538 N PHE A 93 92.483 5.643 5.210 1.00 0.00 N ATOM 1539 CA PHE A 93 91.270 4.943 5.614 1.00 0.00 C ATOM 1540 C PHE A 93 90.977 5.195 7.089 1.00 0.00 C ATOM 1541 O PHE A 93 89.869 5.593 7.457 1.00 0.00 O ATOM 1542 CB PHE A 93 91.411 3.439 5.347 1.00 0.00 C ATOM 1543 CG PHE A 93 90.218 2.629 5.771 1.00 0.00 C ATOM 1544 CD1 PHE A 93 89.013 2.741 5.099 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.306 1.751 6.839 1.00 0.00 C ATOM 1546 CE1 PHE A 93 87.917 1.993 5.484 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.214 1.001 7.230 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.017 1.123 6.552 1.00 0.00 C ATOM 0 H PHE A 93 93.229 5.033 4.875 1.00 0.00 H new ATOM 0 HA PHE A 93 90.436 5.325 5.026 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.583 3.284 4.282 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.293 3.069 5.869 1.00 0.00 H new ATOM 0 HD1 PHE A 93 88.929 3.421 4.264 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.240 1.652 7.372 1.00 0.00 H new ATOM 0 HE1 PHE A 93 86.983 2.089 4.950 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.296 0.320 8.064 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.161 0.539 6.856 1.00 0.00 H new ATOM 1558 N GLN A 94 91.980 4.988 7.930 1.00 0.00 N ATOM 1559 CA GLN A 94 91.823 5.208 9.359 1.00 0.00 C ATOM 1560 C GLN A 94 91.872 6.694 9.691 1.00 0.00 C ATOM 1561 O GLN A 94 91.443 7.115 10.762 1.00 0.00 O ATOM 1562 CB GLN A 94 92.878 4.439 10.145 1.00 0.00 C ATOM 1563 CG GLN A 94 92.672 2.936 10.097 1.00 0.00 C ATOM 1564 CD GLN A 94 93.346 2.216 11.244 1.00 0.00 C ATOM 1565 OE1 GLN A 94 94.374 2.657 11.762 1.00 0.00 O ATOM 1566 NE2 GLN A 94 92.777 1.093 11.647 1.00 0.00 N ATOM 0 H GLN A 94 92.907 4.669 7.649 1.00 0.00 H new ATOM 0 HA GLN A 94 90.843 4.832 9.652 1.00 0.00 H new ATOM 0 HB2 GLN A 94 93.865 4.678 9.749 1.00 0.00 H new ATOM 0 HB3 GLN A 94 92.863 4.770 11.184 1.00 0.00 H new ATOM 0 HG2 GLN A 94 91.604 2.719 10.115 1.00 0.00 H new ATOM 0 HG3 GLN A 94 93.059 2.551 9.154 1.00 0.00 H new ATOM 0 HE21 GLN A 94 91.926 0.761 11.193 1.00 0.00 H new ATOM 0 HE22 GLN A 94 93.189 0.559 12.412 1.00 0.00 H new ATOM 1575 N LYS A 95 92.384 7.483 8.759 1.00 0.00 N ATOM 1576 CA LYS A 95 92.364 8.935 8.877 1.00 0.00 C ATOM 1577 C LYS A 95 90.927 9.440 8.740 1.00 0.00 C ATOM 1578 O LYS A 95 90.542 10.431 9.360 1.00 0.00 O ATOM 1579 CB LYS A 95 93.283 9.539 7.807 1.00 0.00 C ATOM 1580 CG LYS A 95 93.288 11.056 7.721 1.00 0.00 C ATOM 1581 CD LYS A 95 92.390 11.552 6.600 1.00 0.00 C ATOM 1582 CE LYS A 95 92.861 12.894 6.065 1.00 0.00 C ATOM 1583 NZ LYS A 95 94.208 12.795 5.437 1.00 0.00 N ATOM 0 H LYS A 95 92.823 7.139 7.905 1.00 0.00 H new ATOM 0 HA LYS A 95 92.733 9.243 9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 95 94.302 9.201 7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 95 92.990 9.140 6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 95 92.954 11.477 8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 95 94.306 11.409 7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 95 92.377 10.821 5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 95 91.367 11.643 6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 95 92.144 13.265 5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 95 92.891 13.620 6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 94.633 13.742 5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 94.816 12.179 6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 94.117 12.395 4.481 1.00 0.00 H new ATOM 1597 N ILE A 96 90.133 8.739 7.936 1.00 0.00 N ATOM 1598 CA ILE A 96 88.714 9.043 7.811 1.00 0.00 C ATOM 1599 C ILE A 96 87.943 8.469 8.999 1.00 0.00 C ATOM 1600 O ILE A 96 86.967 9.059 9.461 1.00 0.00 O ATOM 1601 CB ILE A 96 88.133 8.514 6.481 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.816 9.222 5.307 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.622 8.716 6.425 1.00 0.00 C ATOM 1604 CD1 ILE A 96 88.286 8.810 3.955 1.00 0.00 C ATOM 0 H ILE A 96 90.449 7.957 7.362 1.00 0.00 H new ATOM 0 HA ILE A 96 88.605 10.127 7.808 1.00 0.00 H new ATOM 0 HB ILE A 96 88.326 7.443 6.415 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.692 10.299 5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.886 9.018 5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 96 86.239 8.335 5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 96 86.152 8.179 7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 96 86.394 9.779 6.507 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.818 9.354 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.434 7.739 3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 96 87.222 9.039 3.896 1.00 0.00 H new ATOM 1616 N LEU A 97 88.397 7.325 9.503 1.00 0.00 N ATOM 1617 CA LEU A 97 87.864 6.785 10.752 1.00 0.00 C ATOM 1618 C LEU A 97 88.099 7.786 11.875 1.00 0.00 C ATOM 1619 O LEU A 97 87.229 8.024 12.712 1.00 0.00 O ATOM 1620 CB LEU A 97 88.532 5.452 11.100 1.00 0.00 C ATOM 1621 CG LEU A 97 88.192 4.289 10.168 1.00 0.00 C ATOM 1622 CD1 LEU A 97 88.998 3.056 10.542 1.00 0.00 C ATOM 1623 CD2 LEU A 97 86.708 3.984 10.227 1.00 0.00 C ATOM 0 H LEU A 97 89.126 6.757 9.071 1.00 0.00 H new ATOM 0 HA LEU A 97 86.795 6.610 10.629 1.00 0.00 H new ATOM 0 HB2 LEU A 97 89.613 5.594 11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 97 88.249 5.177 12.116 1.00 0.00 H new ATOM 0 HG LEU A 97 88.450 4.576 9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 97 88.744 2.237 9.869 1.00 0.00 H new ATOM 0 HD12 LEU A 97 90.062 3.278 10.458 1.00 0.00 H new ATOM 0 HD13 LEU A 97 88.767 2.768 11.567 1.00 0.00 H new ATOM 0 HD21 LEU A 97 86.480 3.154 9.558 1.00 0.00 H new ATOM 0 HD22 LEU A 97 86.432 3.715 11.247 1.00 0.00 H new ATOM 0 HD23 LEU A 97 86.143 4.864 9.918 1.00 0.00 H new ATOM 1635 N LYS A 98 89.287 8.372 11.862 1.00 0.00 N ATOM 1636 CA LYS A 98 89.670 9.417 12.801 1.00 0.00 C ATOM 1637 C LYS A 98 88.794 10.651 12.588 1.00 0.00 C ATOM 1638 O LYS A 98 88.362 11.302 13.540 1.00 0.00 O ATOM 1639 CB LYS A 98 91.146 9.763 12.574 1.00 0.00 C ATOM 1640 CG LYS A 98 91.923 10.122 13.828 1.00 0.00 C ATOM 1641 CD LYS A 98 91.494 11.452 14.412 1.00 0.00 C ATOM 1642 CE LYS A 98 92.450 11.890 15.503 1.00 0.00 C ATOM 1643 NZ LYS A 98 92.035 13.166 16.137 1.00 0.00 N ATOM 0 H LYS A 98 90.019 8.134 11.193 1.00 0.00 H new ATOM 0 HA LYS A 98 89.531 9.070 13.825 1.00 0.00 H new ATOM 0 HB2 LYS A 98 91.633 8.914 12.094 1.00 0.00 H new ATOM 0 HB3 LYS A 98 91.204 10.599 11.877 1.00 0.00 H new ATOM 0 HG2 LYS A 98 91.785 9.339 14.574 1.00 0.00 H new ATOM 0 HG3 LYS A 98 92.987 10.157 13.595 1.00 0.00 H new ATOM 0 HD2 LYS A 98 91.461 12.206 13.626 1.00 0.00 H new ATOM 0 HD3 LYS A 98 90.485 11.369 14.817 1.00 0.00 H new ATOM 0 HE2 LYS A 98 92.511 11.112 16.264 1.00 0.00 H new ATOM 0 HE3 LYS A 98 93.449 12.004 15.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 92.719 13.425 16.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 92.002 13.916 15.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 91.093 13.052 16.562 1.00 0.00 H new ATOM 1657 N LYS A 99 88.536 10.954 11.321 1.00 0.00 N ATOM 1658 CA LYS A 99 87.692 12.079 10.936 1.00 0.00 C ATOM 1659 C LYS A 99 86.270 11.897 11.463 1.00 0.00 C ATOM 1660 O LYS A 99 85.671 12.834 11.990 1.00 0.00 O ATOM 1661 CB LYS A 99 87.695 12.227 9.409 1.00 0.00 C ATOM 1662 CG LYS A 99 86.760 13.299 8.873 1.00 0.00 C ATOM 1663 CD LYS A 99 86.986 13.525 7.386 1.00 0.00 C ATOM 1664 CE LYS A 99 85.978 14.499 6.802 1.00 0.00 C ATOM 1665 NZ LYS A 99 84.624 13.900 6.680 1.00 0.00 N ATOM 0 H LYS A 99 88.907 10.426 10.531 1.00 0.00 H new ATOM 0 HA LYS A 99 88.094 12.990 11.379 1.00 0.00 H new ATOM 0 HB2 LYS A 99 88.710 12.452 9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 99 87.422 11.270 8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 99 85.725 13.004 9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 99 86.921 14.231 9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 99 87.994 13.907 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 99 86.918 12.573 6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 99 85.925 15.386 7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 99 86.319 14.826 5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 83.994 14.563 6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 84.684 13.012 6.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 84.244 13.705 7.628 1.00 0.00 H new ATOM 1679 N ARG A 100 85.738 10.689 11.333 1.00 0.00 N ATOM 1680 CA ARG A 100 84.408 10.384 11.845 1.00 0.00 C ATOM 1681 C ARG A 100 84.418 10.330 13.372 1.00 0.00 C ATOM 1682 O ARG A 100 83.548 10.897 14.031 1.00 0.00 O ATOM 1683 CB ARG A 100 83.898 9.052 11.283 1.00 0.00 C ATOM 1684 CG ARG A 100 82.522 8.671 11.806 1.00 0.00 C ATOM 1685 CD ARG A 100 82.070 7.308 11.307 1.00 0.00 C ATOM 1686 NE ARG A 100 80.805 6.914 11.924 1.00 0.00 N ATOM 1687 CZ ARG A 100 80.145 5.787 11.660 1.00 0.00 C ATOM 1688 NH1 ARG A 100 80.629 4.905 10.792 1.00 0.00 N ATOM 1689 NH2 ARG A 100 78.999 5.541 12.281 1.00 0.00 N ATOM 0 H ARG A 100 86.206 9.905 10.878 1.00 0.00 H new ATOM 0 HA ARG A 100 83.736 11.180 11.523 1.00 0.00 H new ATOM 0 HB2 ARG A 100 83.862 9.113 10.195 1.00 0.00 H new ATOM 0 HB3 ARG A 100 84.607 8.263 11.535 1.00 0.00 H new ATOM 0 HG2 ARG A 100 82.538 8.669 12.896 1.00 0.00 H new ATOM 0 HG3 ARG A 100 81.798 9.426 11.499 1.00 0.00 H new ATOM 0 HD2 ARG A 100 81.957 7.333 10.223 1.00 0.00 H new ATOM 0 HD3 ARG A 100 82.834 6.564 11.530 1.00 0.00 H new ATOM 0 HE ARG A 100 80.396 7.550 12.609 1.00 0.00 H new ATOM 0 HH11 ARG A 100 81.515 5.087 10.320 1.00 0.00 H new ATOM 0 HH12 ARG A 100 80.115 4.046 10.598 1.00 0.00 H new ATOM 0 HH21 ARG A 100 78.630 6.212 12.955 1.00 0.00 H new ATOM 0 HH22 ARG A 100 78.487 4.681 12.085 1.00 0.00 H new ATOM 1703 N GLY A 101 85.416 9.657 13.924 1.00 0.00 N ATOM 1704 CA GLY A 101 85.495 9.491 15.362 1.00 0.00 C ATOM 1705 C GLY A 101 85.290 8.048 15.774 1.00 0.00 C ATOM 1706 O GLY A 101 84.850 7.766 16.891 1.00 0.00 O ATOM 0 H GLY A 101 86.175 9.221 13.401 1.00 0.00 H new ATOM 0 HA2 GLY A 101 86.467 9.835 15.715 1.00 0.00 H new ATOM 0 HA3 GLY A 101 84.742 10.116 15.842 1.00 0.00 H new ATOM 1710 N THR A 102 85.605 7.137 14.864 1.00 0.00 N ATOM 1711 CA THR A 102 85.466 5.714 15.117 1.00 0.00 C ATOM 1712 C THR A 102 86.706 5.171 15.823 1.00 0.00 C ATOM 1713 O THR A 102 87.802 5.156 15.258 1.00 0.00 O ATOM 1714 CB THR A 102 85.236 4.941 13.802 1.00 0.00 C ATOM 1715 OG1 THR A 102 84.114 5.496 13.103 1.00 0.00 O ATOM 1716 CG2 THR A 102 84.987 3.464 14.071 1.00 0.00 C ATOM 0 H THR A 102 85.962 7.364 13.936 1.00 0.00 H new ATOM 0 HA THR A 102 84.599 5.573 15.762 1.00 0.00 H new ATOM 0 HB THR A 102 86.134 5.034 13.192 1.00 0.00 H new ATOM 0 HG1 THR A 102 83.773 4.841 12.459 1.00 0.00 H new ATOM 0 HG21 THR A 102 84.828 2.944 13.126 1.00 0.00 H new ATOM 0 HG22 THR A 102 85.851 3.036 14.580 1.00 0.00 H new ATOM 0 HG23 THR A 102 84.104 3.353 14.700 1.00 0.00 H new ATOM 1724 N LYS A 103 86.527 4.743 17.062 1.00 0.00 N ATOM 1725 CA LYS A 103 87.620 4.203 17.857 1.00 0.00 C ATOM 1726 C LYS A 103 87.556 2.681 17.893 1.00 0.00 C ATOM 1727 O LYS A 103 86.639 2.102 18.478 1.00 0.00 O ATOM 1728 CB LYS A 103 87.577 4.776 19.278 1.00 0.00 C ATOM 1729 CG LYS A 103 88.542 4.108 20.246 1.00 0.00 C ATOM 1730 CD LYS A 103 88.583 4.838 21.578 1.00 0.00 C ATOM 1731 CE LYS A 103 89.313 4.027 22.635 1.00 0.00 C ATOM 1732 NZ LYS A 103 88.504 2.870 23.102 1.00 0.00 N ATOM 0 H LYS A 103 85.628 4.759 17.543 1.00 0.00 H new ATOM 0 HA LYS A 103 88.562 4.494 17.393 1.00 0.00 H new ATOM 0 HB2 LYS A 103 87.801 5.842 19.235 1.00 0.00 H new ATOM 0 HB3 LYS A 103 86.563 4.679 19.667 1.00 0.00 H new ATOM 0 HG2 LYS A 103 88.241 3.073 20.406 1.00 0.00 H new ATOM 0 HG3 LYS A 103 89.541 4.086 19.810 1.00 0.00 H new ATOM 0 HD2 LYS A 103 89.077 5.801 21.451 1.00 0.00 H new ATOM 0 HD3 LYS A 103 87.566 5.043 21.913 1.00 0.00 H new ATOM 0 HE2 LYS A 103 90.259 3.668 22.229 1.00 0.00 H new ATOM 0 HE3 LYS A 103 89.553 4.668 23.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 88.957 2.443 23.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 87.549 3.194 23.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 88.439 2.162 22.343 1.00 0.00 H new ATOM 1746 N LEU A 104 88.522 2.037 17.256 1.00 0.00 N ATOM 1747 CA LEU A 104 88.577 0.586 17.231 1.00 0.00 C ATOM 1748 C LEU A 104 89.555 0.079 18.289 1.00 0.00 C ATOM 1749 O LEU A 104 90.653 -0.383 17.966 1.00 0.00 O ATOM 1750 CB LEU A 104 88.984 0.085 15.839 1.00 0.00 C ATOM 1751 CG LEU A 104 88.908 -1.432 15.635 1.00 0.00 C ATOM 1752 CD1 LEU A 104 87.473 -1.920 15.765 1.00 0.00 C ATOM 1753 CD2 LEU A 104 89.485 -1.814 14.281 1.00 0.00 C ATOM 0 H LEU A 104 89.278 2.498 16.750 1.00 0.00 H new ATOM 0 HA LEU A 104 87.584 0.196 17.457 1.00 0.00 H new ATOM 0 HB2 LEU A 104 88.346 0.566 15.098 1.00 0.00 H new ATOM 0 HB3 LEU A 104 90.005 0.410 15.639 1.00 0.00 H new ATOM 0 HG LEU A 104 89.502 -1.915 16.411 1.00 0.00 H new ATOM 0 HD11 LEU A 104 87.441 -2.999 15.617 1.00 0.00 H new ATOM 0 HD12 LEU A 104 87.095 -1.679 16.759 1.00 0.00 H new ATOM 0 HD13 LEU A 104 86.853 -1.432 15.013 1.00 0.00 H new ATOM 0 HD21 LEU A 104 89.424 -2.895 14.151 1.00 0.00 H new ATOM 0 HD22 LEU A 104 88.918 -1.321 13.492 1.00 0.00 H new ATOM 0 HD23 LEU A 104 90.528 -1.501 14.228 1.00 0.00 H new ATOM 1765 N GLU A 105 89.152 0.208 19.558 1.00 0.00 N ATOM 1766 CA GLU A 105 89.951 -0.253 20.695 1.00 0.00 C ATOM 1767 C GLU A 105 91.324 0.420 20.713 1.00 0.00 C ATOM 1768 O GLU A 105 91.550 1.424 20.035 1.00 0.00 O ATOM 1769 CB GLU A 105 90.112 -1.775 20.644 1.00 0.00 C ATOM 1770 CG GLU A 105 88.795 -2.522 20.542 1.00 0.00 C ATOM 1771 CD GLU A 105 88.982 -4.015 20.373 1.00 0.00 C ATOM 1772 OE1 GLU A 105 89.445 -4.441 19.292 1.00 0.00 O ATOM 1773 OE2 GLU A 105 88.653 -4.768 21.309 1.00 0.00 O ATOM 0 H GLU A 105 88.264 0.634 19.824 1.00 0.00 H new ATOM 0 HA GLU A 105 89.427 0.021 21.610 1.00 0.00 H new ATOM 0 HB2 GLU A 105 90.736 -2.038 19.790 1.00 0.00 H new ATOM 0 HB3 GLU A 105 90.640 -2.106 21.538 1.00 0.00 H new ATOM 0 HG2 GLU A 105 88.204 -2.333 21.438 1.00 0.00 H new ATOM 0 HG3 GLU A 105 88.226 -2.133 19.698 1.00 0.00 H new ATOM 1780 N HIS A 106 92.236 -0.122 21.505 1.00 0.00 N ATOM 1781 CA HIS A 106 93.603 0.362 21.515 1.00 0.00 C ATOM 1782 C HIS A 106 94.491 -0.637 20.786 1.00 0.00 C ATOM 1783 O HIS A 106 95.335 -1.300 21.387 1.00 0.00 O ATOM 1784 CB HIS A 106 94.102 0.598 22.950 1.00 0.00 C ATOM 1785 CG HIS A 106 95.497 1.160 23.033 1.00 0.00 C ATOM 1786 ND1 HIS A 106 96.496 0.580 23.783 1.00 0.00 N ATOM 1787 CD2 HIS A 106 96.057 2.252 22.455 1.00 0.00 C ATOM 1788 CE1 HIS A 106 97.602 1.287 23.667 1.00 0.00 C ATOM 1789 NE2 HIS A 106 97.368 2.305 22.865 1.00 0.00 N ATOM 0 H HIS A 106 92.053 -0.894 22.146 1.00 0.00 H new ATOM 0 HA HIS A 106 93.643 1.322 21.001 1.00 0.00 H new ATOM 0 HB2 HIS A 106 93.417 1.280 23.454 1.00 0.00 H new ATOM 0 HB3 HIS A 106 94.069 -0.346 23.494 1.00 0.00 H new ATOM 0 HD2 HIS A 106 95.564 2.950 21.795 1.00 0.00 H new ATOM 0 HE1 HIS A 106 98.543 1.068 24.149 1.00 0.00 H new ATOM 0 HE2 HIS A 106 98.047 3.016 22.593 1.00 0.00 H new ATOM 1798 N HIS A 107 94.260 -0.774 19.486 1.00 0.00 N ATOM 1799 CA HIS A 107 95.090 -1.640 18.665 1.00 0.00 C ATOM 1800 C HIS A 107 96.499 -1.068 18.620 1.00 0.00 C ATOM 1801 O HIS A 107 96.687 0.105 18.288 1.00 0.00 O ATOM 1802 CB HIS A 107 94.491 -1.817 17.263 1.00 0.00 C ATOM 1803 CG HIS A 107 93.280 -2.710 17.252 1.00 0.00 C ATOM 1804 ND1 HIS A 107 92.926 -3.506 16.180 1.00 0.00 N ATOM 1805 CD2 HIS A 107 92.341 -2.934 18.203 1.00 0.00 C ATOM 1806 CE1 HIS A 107 91.824 -4.175 16.476 1.00 0.00 C ATOM 1807 NE2 HIS A 107 91.454 -3.846 17.696 1.00 0.00 N ATOM 0 H HIS A 107 93.510 -0.300 18.983 1.00 0.00 H new ATOM 0 HA HIS A 107 95.131 -2.636 19.105 1.00 0.00 H new ATOM 0 HB2 HIS A 107 94.219 -0.840 16.864 1.00 0.00 H new ATOM 0 HB3 HIS A 107 95.249 -2.233 16.599 1.00 0.00 H new ATOM 0 HD2 HIS A 107 92.300 -2.477 19.181 1.00 0.00 H new ATOM 0 HE1 HIS A 107 91.315 -4.872 15.827 1.00 0.00 H new ATOM 0 HE2 HIS A 107 90.637 -4.212 18.185 1.00 0.00 H new ATOM 1816 N HIS A 108 97.466 -1.918 18.948 1.00 0.00 N ATOM 1817 CA HIS A 108 98.806 -1.496 19.365 1.00 0.00 C ATOM 1818 C HIS A 108 99.447 -0.467 18.437 1.00 0.00 C ATOM 1819 O HIS A 108 99.951 0.552 18.905 1.00 0.00 O ATOM 1820 CB HIS A 108 99.716 -2.716 19.497 1.00 0.00 C ATOM 1821 CG HIS A 108 100.755 -2.566 20.565 1.00 0.00 C ATOM 1822 ND1 HIS A 108 100.497 -2.822 21.892 1.00 0.00 N ATOM 1823 CD2 HIS A 108 102.052 -2.193 20.500 1.00 0.00 C ATOM 1824 CE1 HIS A 108 101.589 -2.614 22.596 1.00 0.00 C ATOM 1825 NE2 HIS A 108 102.550 -2.234 21.778 1.00 0.00 N ATOM 0 H HIS A 108 97.344 -2.931 18.933 1.00 0.00 H new ATOM 0 HA HIS A 108 98.685 -1.002 20.329 1.00 0.00 H new ATOM 0 HB2 HIS A 108 99.107 -3.594 19.713 1.00 0.00 H new ATOM 0 HB3 HIS A 108 100.210 -2.898 18.542 1.00 0.00 H new ATOM 0 HD2 HIS A 108 102.595 -1.915 19.609 1.00 0.00 H new ATOM 0 HE1 HIS A 108 101.682 -2.734 23.665 1.00 0.00 H new ATOM 0 HE2 HIS A 108 103.507 -2.008 22.050 1.00 0.00 H new ATOM 1834 N HIS A 109 99.440 -0.719 17.134 1.00 0.00 N ATOM 1835 CA HIS A 109 100.092 0.199 16.200 1.00 0.00 C ATOM 1836 C HIS A 109 99.242 1.438 15.940 1.00 0.00 C ATOM 1837 O HIS A 109 98.576 1.556 14.911 1.00 0.00 O ATOM 1838 CB HIS A 109 100.461 -0.489 14.887 1.00 0.00 C ATOM 1839 CG HIS A 109 101.853 -1.048 14.890 1.00 0.00 C ATOM 1840 ND1 HIS A 109 102.957 -0.308 14.525 1.00 0.00 N ATOM 1841 CD2 HIS A 109 102.321 -2.271 15.229 1.00 0.00 C ATOM 1842 CE1 HIS A 109 104.042 -1.052 14.637 1.00 0.00 C ATOM 1843 NE2 HIS A 109 103.684 -2.248 15.062 1.00 0.00 N ATOM 0 H HIS A 109 99.001 -1.533 16.704 1.00 0.00 H new ATOM 0 HA HIS A 109 101.018 0.522 16.676 1.00 0.00 H new ATOM 0 HB2 HIS A 109 99.752 -1.294 14.693 1.00 0.00 H new ATOM 0 HB3 HIS A 109 100.364 0.225 14.069 1.00 0.00 H new ATOM 0 HD2 HIS A 109 101.732 -3.110 15.568 1.00 0.00 H new ATOM 0 HE1 HIS A 109 105.051 -0.735 14.418 1.00 0.00 H new ATOM 0 HE2 HIS A 109 104.316 -3.029 15.238 1.00 0.00 H new ATOM 1852 N HIS A 110 99.259 2.334 16.918 1.00 0.00 N ATOM 1853 CA HIS A 110 98.605 3.638 16.850 1.00 0.00 C ATOM 1854 C HIS A 110 99.302 4.559 17.833 1.00 0.00 C ATOM 1855 O HIS A 110 99.642 5.698 17.517 1.00 0.00 O ATOM 1856 CB HIS A 110 97.113 3.551 17.204 1.00 0.00 C ATOM 1857 CG HIS A 110 96.260 2.958 16.129 1.00 0.00 C ATOM 1858 ND1 HIS A 110 95.806 1.660 16.161 1.00 0.00 N ATOM 1859 CD2 HIS A 110 95.781 3.495 14.982 1.00 0.00 C ATOM 1860 CE1 HIS A 110 95.082 1.423 15.082 1.00 0.00 C ATOM 1861 NE2 HIS A 110 95.051 2.521 14.349 1.00 0.00 N ATOM 0 H HIS A 110 99.739 2.172 17.803 1.00 0.00 H new ATOM 0 HA HIS A 110 98.676 4.015 15.830 1.00 0.00 H new ATOM 0 HB2 HIS A 110 97.001 2.956 18.111 1.00 0.00 H new ATOM 0 HB3 HIS A 110 96.747 4.552 17.432 1.00 0.00 H new ATOM 0 HD2 HIS A 110 95.943 4.503 14.631 1.00 0.00 H new ATOM 0 HE1 HIS A 110 94.597 0.489 14.840 1.00 0.00 H new ATOM 0 HE2 HIS A 110 94.564 2.627 13.459 1.00 0.00 H new ATOM 1870 N HIS A 111 99.499 4.032 19.035 1.00 0.00 N ATOM 1871 CA HIS A 111 100.278 4.684 20.070 1.00 0.00 C ATOM 1872 C HIS A 111 100.568 3.670 21.163 1.00 0.00 C ATOM 1873 O HIS A 111 101.742 3.276 21.316 1.00 0.00 O ATOM 1874 CB HIS A 111 99.552 5.897 20.665 1.00 0.00 C ATOM 1875 CG HIS A 111 100.402 6.672 21.632 1.00 0.00 C ATOM 1876 ND1 HIS A 111 100.707 8.005 21.472 1.00 0.00 N ATOM 1877 CD2 HIS A 111 101.029 6.282 22.768 1.00 0.00 C ATOM 1878 CE1 HIS A 111 101.488 8.396 22.462 1.00 0.00 C ATOM 1879 NE2 HIS A 111 101.698 7.370 23.264 1.00 0.00 N ATOM 1880 OXT HIS A 111 99.610 3.256 21.845 1.00 0.00 O ATOM 0 H HIS A 111 99.116 3.130 19.318 1.00 0.00 H new ATOM 0 HA HIS A 111 101.203 5.052 19.626 1.00 0.00 H new ATOM 0 HB2 HIS A 111 99.236 6.557 19.857 1.00 0.00 H new ATOM 0 HB3 HIS A 111 98.648 5.560 21.173 1.00 0.00 H new ATOM 0 HD2 HIS A 111 101.006 5.294 23.203 1.00 0.00 H new ATOM 0 HE1 HIS A 111 101.888 9.390 22.593 1.00 0.00 H new ATOM 0 HE2 HIS A 111 102.264 7.384 24.112 1.00 0.00 H new TER 1889 HIS A 111